Vitas-M small molecule compound
4,7,7-trimethylbicyclo[2.2.1]hept-2-yl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate
Catalog ID
STK279606
SMILES COc1ccc2c(c1)nc([nH]2)SCC(=O)OC1CC2(C(C1CC2)(C)C)C
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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 C20H26N2O3S MW 374.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O3S/c1-19(2)13-7-8-20(19,3)10-16(13)25-17(23)11-26-18-21-14-6-5-12(24-4)9-15(14)22-18/h5-6,9,13,16H,7-8,10-11H2,1-4H3,(H,21,22)InChIKey
BBPHOMDXYGSYBC-UHFFFAOYSA-NSynonyms
(477trimethyl2bicyclo(221)heptanyl)2((6methoxy1Hbenzimidazol2yl)sulfanyl)acetate
477trimethylbicyclo(221)hept2yl((5methoxy1Hbenzimidazol2yl)sulfanyl)acetate
CC1(C2CCC1(CC2OC(=O)CSC3=NC4=C(N3)C=C(C=C4)OC)C)C
COc1ccc2c(c1)nc((nH)2)SCC(=O)OC1CC2(C(C1CC2)(C)C)C
InChI=1SC20H26N2O3Sc119(2)137820(193)1016(13)2517(23)11261821146512(244)915(14)2218h5691316H781011H214H3(H2122)
MFCD09269921
ZINC000102525344
ZINC000103395109
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