Vitas-M small molecule compound

2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

Catalog ID
STK110088
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-]

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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 C25H22N6O4S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O4S/c1-17-3-9-20(10-4-17)30-24(19-7-13-22(35-2)14-8-19)28-29-25(30)36-16-23(32)27-26-15-18-5-11-21(12-6-18)31(33)34/h3-15H,16H2,1-2H3,(H,27,32)/b26-15+
InChIKey
PDDIFXKAIMUUGK-CVKSISIWSA-N
Synonyms
488709-19-9
(E)2((5(4methoxyphenyl)4(ptolyl)4H124triazol3yl)thio)N(4nitrobenzylidene)acetohydrazide
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(4NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488709199
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)NN=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H22N6O4Sc1173920(10417)3024(1971322(352)14819)282925(30)361623(32)2726151851121(12618)31(33)34h315H16H212H3(H2732)b2615+
MFCD03220429
N((1E)2(4NITROPHENYL)1AZAVINYL)2(5(4METHOXYPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001474474
ZINC33341336

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Available files

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