Vitas-M small molecule compound
3-{[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472003
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1sc(c(c1C(=O)N)c1ccc(cc1)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 C23H26N2O4S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4S/c1-11-3-5-13(6-4-11)16-12(2)30-22(19(16)20(24)26)25-21(27)17-14-7-9-15(10-8-14)18(17)23(28)29/h3-6,14-15,17-18H,7-10H2,1-2H3,(H2,24,26)(H,25,27)(H,28,29)InChIKey
PIYRNWOWYSNVGD-UHFFFAOYSA-NSynonyms
2((3carbamoyl5methyl4(4methylphenyl)thiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3carbamoyl5methyl4(4methylphenyl)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3CARBAMOYL5METHYL4(4METHYLPHENYL)2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)N)NC(=O)C3C4CCC(C3C(=O)O)CC4)C
InChI=1SC23H26N2O4Sc1113513(6411)1612(2)3022(19(16)20(24)26)2521(27)17147915(10814)18(17)23(28)29h3614151718H710H212H3(H22426)(H2527)(H2829)
MFCD06030807
ZINC000017094962
ZINC000017094965
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