Vitas-M small molecule compound
ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STK773162
SMILES CCOC(=O)C1C(=O)C=C(CC1c1cccc(c1)OC)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 C25H26N2O4S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4S/c1-3-31-25(29)23-19(15-7-6-8-17(11-15)30-2)12-16(13-21(23)28)27-24-20(14-26)18-9-4-5-10-22(18)32-24/h6-8,11,13,19,23,27H,3-5,9-10,12H2,1-2H3InChIKey
IYXTTZOYQDXORX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC(=CC1=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC(=CC=C4)OC
ethyl4((3cyano4567tetrahydro1benzothiophen2yl)amino)6(3methoxyphenyl)2oxocyclohex3ene1carboxylate
InChI=1SC25H26N2O4Sc133125(29)2319(1576817(1115)302)1216(1321(23)28)272420(1426)189451022(18)3224h681113192327H3591012H212H3
MFCD03821354
ZINC000001080032
ZINC000001080035
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