Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5-methyl-4-phenylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK472006
SMILES CCOC(=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 C23H23NO5S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S/c1-3-29-23(28)19-16(13-7-5-4-6-8-13)12(2)30-21(19)24-20(25)17-14-9-10-15(11-14)18(17)22(26)27/h4-10,14-15,17-18H,3,11H2,1-2H3,(H,24,25)(H,26,27)InChIKey
MRNNTRDTRGGCCM-UHFFFAOYSA-NSynonyms
2((3ethoxycarbonyl5methyl4phenylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(ethoxycarbonyl)5methyl4phenylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(ETHOXYCARBONYL)5METHYL4PHENYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC23H23NO5Sc132923(28)1916(137546813)12(2)3021(19)2420(25)171491015(1114)18(17)22(26)27h41014151718H311H212H3(H2425)(H2627)
MFCD06027409
ZINC000102345253
ZINC000239347303
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