Vitas-M small molecule compound
3-{[4-(4-fluorophenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK471729
SMILES COC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc(c1c1ccc(cc1)F)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 C22H20FNO5S MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FNO5S/c1-10-15(11-5-7-14(23)8-6-11)18(22(28)29-2)20(30-10)24-19(25)16-12-3-4-13(9-12)17(16)21(26)27/h3-8,12-13,16-17H,9H2,1-2H3,(H,24,25)(H,26,27)InChIKey
KHBDOFMETVJAIT-UHFFFAOYSA-NSynonyms
2((4(4fluorophenyl)3methoxycarbonyl5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((4(4fluorophenyl)3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(4(4FLUOROPHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=C(C(=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C(=O)OC)C4=CC=C(C=C4)F
InChI=1SC22H20FNO5Sc11015(115714(23)8611)18(22(28)292)20(3010)2419(25)16123413(912)17(16)21(26)27h3812131617H9H212H3(H2425)(H2627)
MFCD06027373
ZINC000102343782
ZINC000239331196
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