Vitas-M small molecule compound
ethyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302948
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2c2ccc(cc2)C)c2cn(nc2C)C)sc2c1CCC(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 C29H34N6O3S2 MW 578.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N6O3S2/c1-6-19-10-13-21-23(14-19)40-27(25(21)28(37)38-7-2)30-24(36)16-39-29-32-31-26(22-15-34(5)33-18(22)4)35(29)20-11-8-17(3)9-12-20/h8-9,11-12,15,19H,6-7,10,13-14,16H2,1-5H3,(H,30,36)InChIKey
DSNCOIVDGXLGQE-UHFFFAOYSA-NSynonyms
1005617-34-41005617344
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CN(N=C5C)C
ethyl2((((5(13dimethyl1Hpyrazol4yl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(13dimethylpyrazol4yl)4(4methylphenyl)124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H34N6O3S2c161910132123(1419)4027(25(21)28(37)3872)3024(36)163929323126(221534(5)3318(22)4)35(29)2011817(3)91220h8911121519H6710131416H215H3(H3036)
MFCD04049030
ZINC000002751991
ZINC000002751992
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Check stock on Vitas-MAvailable files
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