Vitas-M small molecule compound
3-{[5-ethyl-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK472067
SMILES COC(=O)c1cc(sc1NC(=O)C1C2C=CC(C1C(=O)O)C2)CC
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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/c1-3-10-7-11(17(22)23-2)15(24-10)18-14(19)12-8-4-5-9(6-8)13(12)16(20)21/h4-5,7-9,12-13H,3,6H2,1-2H3,(H,18,19)(H,20,21)InChIKey
JKOUQLIZMZQCSU-UHFFFAOYSA-NSynonyms
2((5ETHYL3METHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((5ethyl3(methoxycarbonyl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(5ETHYL3(METHOXYCARBONYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=CC(=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C(=O)OC
InChI=1SC17H19NO5Sc1310711(17(22)232)15(2410)1814(19)128459(68)13(12)16(20)21h45791213H36H212H3(H1819)(H2021)
MFCD06060736
ZINC000101454490
ZINC000239121159
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