Vitas-M small molecule compound
ethyl 2-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK761942
SMILES CCOC(=O)c1c(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)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 C22H20ClN3O5S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O5S/c1-2-31-21(29)17-14-5-3-4-6-16(14)32-19(17)24-11-15-18(27)25-22(30)26(20(15)28)13-9-7-12(23)8-10-13/h7-11,24H,2-6H2,1H3,(H,25,27,30)/b15-11-InChIKey
REIHFYLUVPXAKX-PTNGSMBKSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl
CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)sc2c1CCCC2
ethyl2(((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H20ClN3O5Sc123121(29)1714534616(14)3219(17)24111518(27)2522(30)26(20(15)28)139712(23)81013h71124H26H21H3(H252730)b1511
MFCD01052494
ZINC000006599645
ZINC06599645
ZINC6599645
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