Vitas-M small molecule compound
3-{[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471305
SMILES CCc1c(C)sc(c1C(=O)NC1CCCC1)NC(=O)C1C2C=CC(C1C(=O)O)C2
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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/c1-3-15-11(2)29-21(18(15)20(26)23-14-6-4-5-7-14)24-19(25)16-12-8-9-13(10-12)17(16)22(27)28/h8-9,12-14,16-17H,3-7,10H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)InChIKey
SOKFIIRCISZMOK-UHFFFAOYSA-NSynonyms
2((3(cyclopentylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(cyclopentylcarbamoyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(NCYCLOPENTYLCARBAMOYL)4ETHYL5METHYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=C(SC(=C1C(=O)NC2CCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC22H28N2O4Sc131511(2)2921(18(15)20(26)2314645714)2419(25)16128913(1012)17(16)22(27)28h8912141617H3710H212H3(H2326)(H2425)(H2728)
MFCD06025452
ZINC000102342211
ZINC000239412330
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