Vitas-M small molecule compound
4-chlorophenyl 2-(acetylamino)-4,6-O-benzylidene-2-deoxy-beta-D-glucopyranoside
Catalog ID
STL011068
SMILES CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H]([C@@H]1O)OC(OC2)c1ccccc1)Oc1ccc(cc1)Cl
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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 C21H22ClNO6 MW 419.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO6/c1-12(24)23-17-18(25)19-16(11-26-20(29-19)13-5-3-2-4-6-13)28-21(17)27-15-9-7-14(22)8-10-15/h2-10,16-21,25H,11H2,1H3,(H,23,24)/t16-,17-,18-,19-,20?,21-/m1/s1InChIKey
DMHKPRRULSREKX-UPGRXVQDSA-NSynonyms
957003-91-74CHLOROPHENYL2(ACETYLAMINO)46OBENZYLIDENE2DEOXYBETADGLUCOPYRANOSIDE
957003917
CC(=O)N(C@H)1(C@@H)(O(C@H)2(C@H)((C@@H)1O)OC(OC2)c1ccccc1)Oc1ccc(cc1)Cl
CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OC4=CC=C(C=C4)Cl)O
InChI=1SC21H22ClNO6c112(24)231718(25)1916(112620(2919)135324613)2821(17)27159714(22)81015h210162125H11H21H3(H2324)t1617181920?21m1s1
MFCD09843096
N((4aR6S7R8R8aS)6(4chlorophenoxy)8hydroxy2phenyl44a6788ahexahydropyrano(32d)(13)dioxin7yl)acetamide
N((4aR6S7R8R8aS)6(4chlorophenoxy)8hydroxy2phenylhexahydropyrano(32d)(13)dioxin7yl)acetamide
ZINC000008765232
ZINC000012897707
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