Vitas-M small molecule compound

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

Catalog ID
STK081212
SMILES COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(/c1ccc(cc1)[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 C26H24N6O5S MW 532.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O5S/c1-17(18-9-12-21(13-10-18)32(34)35)27-28-24(33)16-38-26-30-29-25(31(26)20-7-5-4-6-8-20)19-11-14-22(36-2)23(15-19)37-3/h4-15H,16H2,1-3H3,(H,28,33)/b27-17+
InChIKey
FNZXGACSUPYSMZ-WPWMEQJKSA-N
Synonyms

(Z)2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)N(1(4nitrophenyl)ethylidene)acetohydrazide
2((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)N((E)1(4nitrophenyl)ethylideneamino)acetamide
2((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(4NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=C(c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC26H24N6O5Sc117(1891221(131018)32(34)35)272824(33)163826302925(31(26)207546820)19111422(362)23(1519)373h415H16H213H3(H2833)b2717+
MFCD03088399
STK081212
ZINC000100302734
ZINC97939452

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Available files

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