Vitas-M small molecule compound
methyl (2Z)-{1-[(3-chloro-2-methylphenyl)carbamothioyl]-2-[(4-methylquinazolin-2-yl)amino]-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene}ethanoate
Catalog ID
STK167141
SMILES COC(=O)/C=C/1\N=C(N(C1=O)C(=S)Nc1cccc(c1C)Cl)Nc1nc(C)c2c(n1)cccc2
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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 C23H19ClN6O3S MW 494.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN6O3S/c1-12-15(24)8-6-10-16(12)28-23(34)30-20(32)18(11-19(31)33-3)27-22(30)29-21-25-13(2)14-7-4-5-9-17(14)26-21/h4-11H,1-3H3,(H,28,34)(H,25,26,27,29)/b18-11-InChIKey
BNDUKFZSOSSWRH-WQRHYEAKSA-NSynonyms
669749-15-9(Z)methyl2(1((3chloro2methylphenyl)carbamothioyl)2((4methylquinazolin2yl)amino)5oxo1Himidazol4(5H)ylidene)acetate
669749159
CC1=C(C=CC=C1Cl)NC(=S)N2C(=O)C(=CC(=O)OC)N=C2NC3=NC4=CC=CC=C4C(=N3)C
COC(=O)C=C1N=C(N(C1=O)C(=S)Nc1cccc(c1C)Cl)Nc1nc(C)c2c(n1)cccc2
InChI=1SC23H19ClN6O3Sc11215(24)861016(12)2823(34)3020(32)18(1119(31)333)2722(30)29212513(2)14745917(14)2621h411H13H3(H2834)(H25262729)b1811
METHYL(2Z)(1((3CHLORO2METHYLPHENYL)CARBAMOTHIOYL)2((4METHYLQUINAZOLIN2YL)AMINO)5OXO15DIHYDRO4HIMIDAZOL4YLIDENE)ETHANOATE
METHYL(2Z)2(1((3CHLORO2METHYLPHENYL)CARBAMOTHIOYL)2((4METHYLQUINAZOLIN2YL)AMINO)5OXOIMIDAZOL4YLIDENE)ACETATE
METHYL2(1(((3CHLORO2METHYLPHENYL)AMINO)THIOXOMETHYL)2((4METHYLQUINAZOLIN2YL)AMINO)5OXO13DIAZOLIN4YLIDENE)ACETATE
MFCD04156314
ZINC000002401525
ZINC2401525
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