Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK419429
SMILES COC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc(c1C)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 C17H19NO5S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO5S/c1-7-8(2)24-15(11(7)17(22)23-3)18-14(19)12-9-4-5-10(6-9)13(12)16(20)21/h4-5,9-10,12-13H,6H2,1-3H3,(H,18,19)(H,20,21)InChIKey
JNOPBKWZCJZEDV-UHFFFAOYSA-NSynonyms
2((3METHOXYCARBONYL45DIMETHYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(((3(METHOXYCARBONYL)45DIMETHYL2THIENYL)AMINO)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((3(methoxycarbonyl)45dimethylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC1=C(SC(=C1C(=O)OC)NC(=O)C2C3CC(C2C(=O)O)C=C3)C
InChI=1SC17H19NO5Sc178(2)2415(11(7)17(22)233)1814(19)1294510(69)13(12)16(20)21h459101213H6H213H3(H1819)(H2021)
MFCD01354084
ZINC000100276133
ZINC000239121224
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