Vitas-M small molecule compound
3-{[5-methyl-4-phenyl-3-(propoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471845
SMILES CCCOC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc(c1c1ccccc1)C
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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 C24H25NO5S MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5S/c1-3-11-30-24(29)20-17(14-7-5-4-6-8-14)13(2)31-22(20)25-21(26)18-15-9-10-16(12-15)19(18)23(27)28/h4-10,15-16,18-19H,3,11-12H2,1-2H3,(H,25,26)(H,27,28)InChIKey
FOTQBDJFXVYFGN-UHFFFAOYSA-NSynonyms
2((5methyl4phenyl3propoxycarbonylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((5methyl4phenyl3(propoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(5METHYL4PHENYL3(PROPOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC24H25NO5Sc13113024(29)2017(147546814)13(2)3122(20)2521(26)181591016(1215)19(18)23(27)28h41015161819H31112H212H3(H2526)(H2728)
MFCD06030953
ZINC000102344431
ZINC000239046355
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