Vitas-M small molecule compound
3-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK441693
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCC2
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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 C20H24N2O4S MW 388.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O4S/c21-17(23)16-12-5-3-1-2-4-6-13(12)27-19(16)22-18(24)14-10-7-8-11(9-10)15(14)20(25)26/h7-8,10-11,14-15H,1-6,9H2,(H2,21,23)(H,22,24)(H,25,26)InChIKey
QVMVBPAPBMXUBR-UHFFFAOYSA-NSynonyms
2((3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3carbamoyl456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C(=O)N
InChI=1SC20H24N2O4Sc2117(23)161253124613(12)2719(16)2218(24)14107811(910)15(14)20(25)26h7810111415H169H2(H22123)(H2224)(H2526)
MFCD03386305
ZINC000100093793
ZINC000239402609
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