Vitas-M small molecule compound
methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
Catalog ID
STK773147
SMILES COC(=O)C1C(=O)C=C(CC1c1ccccc1)Nc1sc2c(c1C#N)CCCC2
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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 C23H22N2O3S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S/c1-28-23(27)21-17(14-7-3-2-4-8-14)11-15(12-19(21)26)25-22-18(13-24)16-9-5-6-10-20(16)29-22/h2-4,7-8,12,17,21,25H,5-6,9-11H2,1H3InChIKey
GIAFOBGYEXCECD-UHFFFAOYSA-NSynonyms
COC(=O)C1C(CC(=CC1=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4
InChI=1SC23H22N2O3Sc12823(27)2117(147324814)1115(1219(21)26)252218(1324)169561020(16)2922h247812172125H56911H21H3
methyl4((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxo6phenylcyclohex3ene1carboxylate
MFCD03821339
ZINC000001079979
ZINC000001079982
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