Vitas-M small molecule compound
ethyl 2-[({[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK547754
SMILES CCOC(=O)c1c(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c2cccs2)sc2c1CCCC2
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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 C24H20F3N3O3S3 MW 551.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20F3N3O3S3/c1-2-33-23(32)20-13-6-3-4-7-17(13)36-22(20)30-19(31)12-35-21-14(11-28)15(24(25,26)27)10-16(29-21)18-8-5-9-34-18/h5,8-10H,2-4,6-7,12H2,1H3,(H,30,31)InChIKey
AONAOWKUWHWFNL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CS4)C(F)(F)F)C#N
ethyl2((((3cyano6(thiophen2yl)4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(3cyano6thiophen2yl4(trifluoromethyl)pyridin2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((3cyano6(thiophen2yl)4(trifluoromethyl)pyridin2yl)thio)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC24H20F3N3O3S3c123323(32)2013634717(13)3622(20)3019(31)12352114(1128)15(24(2526)27)1016(2921)188593418h5810H246712H21H3(H3031)
MFCD03075649
ZINC000008451000
ZINC8451000
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