Vitas-M small molecule compound

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

Catalog ID
STK068561
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccccc1)N/N=C(/c1cccc(c1)[N+](=O)[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 C25H22N6O3S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O3S/c1-17-11-13-21(14-12-17)30-24(19-7-4-3-5-8-19)28-29-25(30)35-16-23(32)27-26-18(2)20-9-6-10-22(15-20)31(33)34/h3-15H,16H2,1-2H3,(H,27,32)/b26-18+
InChIKey
CRQRCCBJQNDOOR-NLRVBDNBSA-N
Synonyms
314072-09-8
(E)N(1(3nitrophenyl)ethylidene)2((5phenyl4(ptolyl)4H124triazol3yl)thio)acetohydrazide
2((4(4methylphenyl)5phenyl124triazol3yl)sulfanyl)N((E)1(3nitrophenyl)ethylideneamino)acetamide
2((4(4METHYLPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(3NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
314072098
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=C(C)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC25H22N6O3Sc117111321(141217)3024(197435819)282925(30)351623(32)272618(2)20961022(1520)31(33)34h315H16H212H3(H2732)b2618+
MFCD02673696
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccccc1)NN=C(c1cccc(c1)(N+)(=O)(O))C
STK068561
ZINC000008817648
ZINC19849269

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Available files

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