Vitas-M small molecule compound
ethyl 2-({[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK911786
SMILES C=CCSc1ncc(c(n1)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)Cl
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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 C19H20ClN3O3S2 MW 437.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3O3S2/c1-3-9-27-19-21-10-12(20)15(22-19)16(24)23-17-14(18(25)26-4-2)11-7-5-6-8-13(11)28-17/h3,10H,1,4-9H2,2H3,(H,23,24)InChIKey
YWEMTCYVNVVBOQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SCC=C
ethyl2(((5chloro2(prop2en1ylsulfanyl)pyrimidin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5chloro2prop2enylsulfanylpyrimidine4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H20ClN3O3S2c1392719211012(20)15(2219)16(24)231714(18(25)2642)11756813(11)2817h310H149H22H3(H2324)
MFCD07426725
ZINC000008916272
ZINC08916272
ZINC8916272
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