Vitas-M small molecule compound
ethyl 4-({(Z)-[1-(3,4-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STL372438
SMILES CCOC(=O)c1ccc(cc1)N/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(c(c1)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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-4-29-21(28)15-6-8-16(9-7-15)23-12-18-19(26)24-22(30)25(20(18)27)17-10-5-13(2)14(3)11-17/h5-12,23H,4H2,1-3H3,(H,24,26,30)/b18-12-InChIKey
QFSXKPACOVGYCC-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)C)C
CCOC(=O)c1ccc(cc1)NC=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C
ETHYL4(((Z)(1(34DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
ethyl4(((Z)(1(34dimethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
InChI=1SC22H21N3O4Sc142921(28)156816(9715)23121819(26)2422(30)25(20(18)27)1710513(2)14(3)1117h51223H4H213H3(H242630)b1812
MFCD03270642
ZINC000003004785
ZINC03004785
ZINC3004785
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