Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK334676
SMILES COC(=O)c1cc(sc1NC(=O)C1C2C=CC(C1C(=O)O)C2)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 C16H17NO5S MW 335.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5S/c1-7-5-10(16(21)22-2)14(23-7)17-13(18)11-8-3-4-9(6-8)12(11)15(19)20/h3-5,8-9,11-12H,6H2,1-2H3,(H,17,18)(H,19,20)InChIKey
WSMCHAHYNLCGCC-UHFFFAOYSA-NSynonyms
2((3METHOXYCARBONYL5METHYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=CC(=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C(=O)OC
InChI=1SC16H17NO5Sc17510(16(21)222)14(237)1713(18)118349(68)12(11)15(19)20h35891112H6H212H3(H1718)(H1920)
MFCD02176945
ZINC000102050303
ZINC000239235797
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