Vitas-M small molecule compound
6-{[5-ethyl-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK423915
SMILES COC(=O)c1cc(sc1NC(=O)C1CC=CCC1C(=O)O)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 C16H19NO5S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO5S/c1-3-9-8-12(16(21)22-2)14(23-9)17-13(18)10-6-4-5-7-11(10)15(19)20/h4-5,8,10-11H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)InChIKey
WHHHZIQDUZQHJX-UHFFFAOYSA-NSynonyms
6((5ethyl3(methoxycarbonyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((5ETHYL3METHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(5ETHYL3(METHOXYCARBONYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCC1=CC(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC
InChI=1SC16H19NO5Sc139812(16(21)222)14(239)1713(18)10645711(10)15(19)20h4581011H367H212H3(H1718)(H1920)
MFCD02176333
ZINC000002759079
ZINC000002759082
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