Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({(E)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK803998
SMILES CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cccs2)\C#N)sc2c1CCC(C2)C(C)(C)C
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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 C25H27N3O2S3 MW 497.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2S3/c1-5-30-24(29)21-17-9-8-16(25(2,3)4)11-20(17)33-23(21)27-13-15(12-26)22-28-18(14-32-22)19-7-6-10-31-19/h6-7,10,13-14,16,27H,5,8-9,11H2,1-4H3/b15-13+InChIKey
PYTWTARSTCUOFC-FYWRMAATSA-NSynonyms
578699-37-3(E)ethyl6(tertbutyl)2((2cyano2(4(thiophen2yl)thiazol2yl)vinyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
578699373
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC=C(C#N)C3=NC(=CS3)C4=CC=CS4
CCOC(=O)c1c(NC=C(c2scc(n2)c2cccs2)C#N)sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((E)2cyano2(4(thiophen2yl)13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2(((E)2cyano2(4thiophen2yl13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H27N3O2S3c153024(29)21179816(25(23)4)1120(17)3323(21)271315(1226)222818(143222)1976103119h671013141627H58911H214H3b1513+
MFCD04029186
ZINC000009460870
ZINC000009460871
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