Vitas-M small molecule compound
3-{[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK470855
SMILES OC(=O)C1C2C=CC(C1C(=O)Nc1sc3c(c1C(=O)NC1CC1)CCCC3)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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c24-18(15-10-5-6-11(9-10)16(15)21(26)27)23-20-17(19(25)22-12-7-8-12)13-3-1-2-4-14(13)28-20/h5-6,10-12,15-16H,1-4,7-9H2,(H,22,25)(H,23,24)(H,26,27)InChIKey
ZFEPUUSIUPUDIZ-UHFFFAOYSA-NSynonyms
2((3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1CCC2=C(C1)C(=C(S2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C(=O)NC5CC5
InChI=1SC21H24N2O4Sc2418(15105611(910)16(15)21(26)27)232017(19(25)22127812)13312414(13)2820h5610121516H1479H2(H2225)(H2324)(H2627)
MFCD06021789
ZINC000102339707
ZINC000245228029
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