Vitas-M small molecule compound

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

Catalog ID
STK025241
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C/c1ccccc1[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 C25H22N6O3S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O3S/c1-17-7-11-19(12-8-17)24-28-29-25(30(24)21-13-9-18(2)10-14-21)35-16-23(32)27-26-15-20-5-3-4-6-22(20)31(33)34/h3-15H,16H2,1-2H3,(H,27,32)/b26-15+
InChIKey
TXFDSNIEXUTAQU-CVKSISIWSA-N
Synonyms
496797-67-2
(E)2((45diptolyl4H124triazol3yl)thio)N(2nitrobenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(2NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(2NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
496797672
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC=CC=C4(N+)(=O)(O)
InChI=1SC25H22N6O3Sc11771119(12817)24282925(30(24)2113918(2)101421)351623(32)27261520534622(20)31(33)34h315H16H212H3(H2732)b2615+
MFCD03091539
N((1E)2(2NITROPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=Cc1ccccc1(N+)(=O)(O)
STK025241
ZINC000001815680
ZINC33344915

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Available files

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