Vitas-M small molecule compound
methyl 4-{(E)-[2-({[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK791276
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)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 C26H23N5O3S MW 485.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O3S/c1-18-8-12-20(13-9-18)24-29-30-26(31(24)22-6-4-3-5-7-22)35-17-23(32)28-27-16-19-10-14-21(15-11-19)25(33)34-2/h3-16H,17H2,1-2H3,(H,28,32)/b27-16+InChIKey
SUXXZBGQZTUUEB-JVWAILMASA-NSynonyms
314287-48-4(E)methyl4((2(2((4phenyl5(ptolyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
314287484
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C
InChI=1SC26H23N5O3Sc11881220(13918)24293026(31(24)226435722)351723(32)28271619101421(151119)25(33)342h316H17H212H3(H2832)b2716+
METHYL4((E)((2((5(4METHYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2(((5(4methylphenyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
MFCD01589254
ZINC000001834497
ZINC32576907
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