Vitas-M small molecule compound
3-{[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK470934
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1sc2c(c1C(=O)NC1CC1)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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c24-18(15-10-4-6-11(7-5-10)16(15)21(26)27)23-20-17(19(25)22-12-8-9-12)13-2-1-3-14(13)28-20/h4,6,10-12,15-16H,1-3,5,7-9H2,(H,22,25)(H,23,24)(H,26,27)InChIKey
OLFWTICWGBOYEC-UHFFFAOYSA-NSynonyms
2((3(cyclopropylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3(cyclopropylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(NCYCLOPROPYLCARBAMOYL)456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
C1CC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4C5CCC(C4C(=O)O)C=C5
InChI=1SC21H24N2O4Sc2418(15104611(7510)16(15)21(26)27)232017(19(25)22128912)1321314(13)2820h4610121516H13579H2(H2225)(H2324)(H2627)
MFCD06021784
ZINC000102340209
ZINC000239173686
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