Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STK065544
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)Cl)ccc1OC(=O)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 C27H24ClN5O4S MW 550.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O4S/c1-17-4-11-22(12-5-17)33-26(20-7-9-21(28)10-8-20)31-32-27(33)38-16-25(35)30-29-15-19-6-13-23(37-18(2)34)24(14-19)36-3/h4-15H,16H2,1-3H3,(H,30,35)/b29-15+InChIKey
RGZBOLHPWRTSOR-WKULSOCRSA-NSynonyms
(4((E)((2((5(4CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)ACETATE
(E)4((2(2((5(4chlorophenyl)4(ptolyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)2methoxyphenylacetate
4((E)(2(((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYLACETATE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C=C3)OC(=O)C)OC)C4=CC=C(C=C4)Cl
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)Cl)ccc1OC(=O)C
InChI=1SC27H24ClN5O4Sc11741122(12517)3326(207921(28)10820)313227(33)381625(35)3029151961323(3718(2)34)24(1419)363h415H16H213H3(H3035)b2915+
MFCD02077511
STK065544
ZINC000002199364
ZINC100300828
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.