Vitas-M small molecule compound
3-{[5-ethyl-3-(methoxycarbonyl)-4-phenylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471664
SMILES COC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc(c1c1ccccc1)CC
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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 C23H23NO5S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S/c1-3-15-16(12-7-5-4-6-8-12)19(23(28)29-2)21(30-15)24-20(25)17-13-9-10-14(11-13)18(17)22(26)27/h4-10,13-14,17-18H,3,11H2,1-2H3,(H,24,25)(H,26,27)InChIKey
LLPKLFXKTDYZCP-UHFFFAOYSA-NSynonyms
2((5ethyl3methoxycarbonyl4phenylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((5ethyl3(methoxycarbonyl)4phenylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(5ETHYL3(METHOXYCARBONYL)4PHENYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=C(C(=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C(=O)OC)C4=CC=CC=C4
InChI=1SC23H23NO5Sc131516(127546812)19(23(28)292)21(3015)2420(25)171391014(1113)18(17)22(26)27h41013141718H311H212H3(H2425)(H2627)
MFCD06025728
ZINC000102343495
ZINC000239338941
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