Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-{[2-(4-methoxyphenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL529143
SMILES COc1ccc(cc1)CCNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
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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 C34H43NO8 MW 593.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO8/c1-32-15-12-23(36)18-22(32)6-9-25-26-13-16-34(41,33(26,2)19-27(37)31(25)32)28(38)20-43-30(40)11-10-29(39)35-17-14-21-4-7-24(42-3)8-5-21/h4-5,7-8,12,15,18,25-27,31,37,41H,6,9-11,13-14,16-17,19-20H2,1-3H3,(H,35,39)/t25?,26?,27?,31?,32-,33InChIKey
IVAGXCRUCDZJRB-CFCLLMBQSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(4methoxyphenyl)ethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl4((2(4methoxyphenyl)ethyl)amino)4oxobutanoate
16404078
2((10R13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((4methoxyphenethyl)amino)4oxobutanoate
COc1ccc(cc1)CCNC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)C=C(C@)12C
InChI=1SC34H43NO8c132151223(36)1822(32)692526131634(4133(262)1927(37)31(25)32)28(38)204330(40)111029(39)351714214724(423)8521h45781215182527313741H6911131416171920H213H3(H3539)t25?26?27?31?323334m0s1
MFCD05724521
ZINC000254790698
ZINC000254790705
Check stock
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