Vitas-M small molecule compound
3-{[3-(cyclohexylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK470894
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2
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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 C23H28N2O4S MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4S/c26-20(17-12-9-10-13(11-12)18(17)23(28)29)25-22-19(15-7-4-8-16(15)30-22)21(27)24-14-5-2-1-3-6-14/h9-10,12-14,17-18H,1-8,11H2,(H,24,27)(H,25,26)(H,28,29)InChIKey
PASIKBWVDYKATA-UHFFFAOYSA-NSynonyms
2((3(cyclohexylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(cyclohexylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(NCYCLOHEXYLCARBAMOYL)456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1CCC(CC1)NC(=O)C2=C(SC3=C2CCC3)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC23H28N2O4Sc2620(171291013(1112)18(17)23(28)29)252219(1574816(15)3022)21(27)24145213614h91012141718H1811H2(H2427)(H2526)(H2829)
MFCD06021601
ZINC000102339919
ZINC000239173979
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