Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471118
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1sc(c(c1C(=O)NC1CCCCC1)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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-11-12(2)29-21(16(11)19(25)23-15-6-4-3-5-7-15)24-20(26)17-13-8-9-14(10-13)18(17)22(27)28/h8-9,13-15,17-18H,3-7,10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)InChIKey
UGVOMYWDFCWPOV-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)45dimethylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(cyclohexylcarbamoyl)45dimethylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)45DIMETHYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC22H28N2O4Sc11112(2)2921(16(11)19(25)23156435715)2420(26)17138914(1013)18(17)22(27)28h8913151718H3710H212H3(H2325)(H2426)(H2728)
MFCD06022393
ZINC000102341126
ZINC000239222049
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