Vitas-M small molecule compound
methyl 4-{(E)-[2-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK057550
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-18-4-10-21(11-5-18)25-30-31-27(32(25)23-14-6-19(2)7-15-23)36-17-24(33)29-28-16-20-8-12-22(13-9-20)26(34)35-3/h4-16H,17H2,1-3H3,(H,29,33)/b28-16+InChIKey
IIGGXMZIJSOZCI-LQKURTRISA-NSynonyms
498544-67-5(E)methyl4((2(2((45diptolyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
498544675
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C
InChI=1SC27H25N5O3Sc11841021(11518)25303127(32(25)2314619(2)71523)361724(33)2928162081222(13920)26(34)353h416H17H213H3(H2933)b2816+
METHYL4((E)((2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD02729637
STK057550
ZINC000001738380
ZINC33342900
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