Vitas-M small molecule compound
ethyl 4-({(Z)-[1-(3-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STL372446
SMILES CCOC(=O)c1ccc(cc1)N/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1)OC
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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 C21H19N3O5S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5S/c1-3-29-20(27)13-7-9-14(10-8-13)22-12-17-18(25)23-21(30)24(19(17)26)15-5-4-6-16(11-15)28-2/h4-12,22H,3H2,1-2H3,(H,23,25,30)/b17-12-InChIKey
BJXREBZGLNQRKG-ATVHPVEESA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)OC
CCOC(=O)c1ccc(cc1)NC=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)OC
ETHYL4(((Z)(1(3METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
ethyl4(((Z)(1(3methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
InChI=1SC21H19N3O5Sc132920(27)137914(10813)22121718(25)2321(30)24(19(17)26)1554616(1115)282h41222H3H212H3(H232530)b1712
MFCD03712510
ZINC000002810714
ZINC02810714
ZINC2810714
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