Vitas-M small molecule compound

4-(dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl}oxy)-6-methyltetrahydro-2H-pyran-3-yl propanoate (non-preferred name)

Catalog ID
STK177308
SMILES CCC(=O)OC1C(OC(CC1N(C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C40H71NO14 MW 790.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3
InChIKey
TYQXKHPOXXXCTP-UHFFFAOYSA-N
Synonyms

(4(dimethylamino)2((14ethyl71213trihydroxy4(5hydroxy4methoxy46dimethyloxan2yl)oxy35791113hexamethyl210dioxooxacyclotetradec6yl)oxy)6methyloxan3yl)propanoate
4(dimethylamino)2((14ethyl71213trihydroxy4((5hydroxy4methoxy46dimethyltetrahydro2Hpyran2yl)oxy)35791113hexamethyl210dioxooxacyclotetradecan6yl)oxy)6methyltetrahydro2
56TETRAHYDROPYRAN3YLPROPANOATE
CCC(=O)O(C@@H)1(C@H)(O(C@H)(C(C@H)1N(C)C)C)O(C@@H)1(C@@H)(C)(C@H)(O(C@H)2O(C@H)(C)(C@H)((C@@)(C2)(C)OC)O)(C@@H)(C)C(=O)O(C@H)(CC)(C@@)((C@@H)((C@H)(C(=O)(C@@H)(C(C@@)1(C)O)C)C)O)(C)O
CCC(=O)O(C@H)1C(O(C@@H)(C(C@@H)1N(C)C)C)O(C@@H)1(C@@H)(C)(C@H)(OC2O(C@H)(C)(C@H)((C@@)(C2)(C)OC)O)(C@@H)(C)C(=O)O(C@H)(CC)(C@@)((C@@H)((C@H)(C(=O)(C@@H)(C(C@@)1(C)O)C)C)O)(C)OCCCCCCCCCCCCOS(=O)(=O)O
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O
ERYTHROMYCIN2PROPANOATE
ERYTHROMYCIN2PROPIONATE
HPYRAN3YLPROPANOATE(NONPREFERREDNAME)
InChI=1SC40H71NO14c1152740(1148)33(44)22(5)30(43)20(3)1838(947)35(553732(5328(42)162)26(41(12)13)1721(4)5037)23(6)31(24(7)36(46)5227)54291939(104914)34(45)25(8)5129h20272931353744454748H1519H2114H3
MFCD03103556
ZINC000239415175
ZINC000239415178

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Available files

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