Vitas-M small molecule compound
methyl (4-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK191787
SMILES COC(=O)COc1ccc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)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 C21H17ClN2O6S MW 460.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6S/c1-28-17-10-12(3-8-16(17)30-11-18(25)29-2)9-15-19(26)23-21(31)24(20(15)27)14-6-4-13(22)5-7-14/h3-10H,11H2,1-2H3,(H,23,26,31)/b15-9+InChIKey
BNBYAVAFTVLQPA-OQLLNIDSSA-NSynonyms
COC(=O)COc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)OCC(=O)OC
InChI=1SC21H17ClN2O6Sc128171012(3816(17)301118(25)292)91519(26)2321(31)24(20(15)27)146413(22)5714h310H11H212H3(H232631)b159+
METHYL(4((E)(1(4CHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
METHYL2(4((E)(1(4CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
MFCD02085175
ZINC000001200662
ZINC01200662
ZINC1200662
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