Vitas-M small molecule compound
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Catalog ID
STK087456
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)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 C26H24N6O5S MW 532.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O5S/c1-17(18-8-7-11-21(14-18)32(34)35)27-28-24(33)16-38-26-30-29-25(31(26)20-9-5-4-6-10-20)19-12-13-22(36-2)23(15-19)37-3/h4-15H,16H2,1-3H3,(H,28,33)/b27-17+InChIKey
CHWDHIOKTOXCDB-WPWMEQJKSA-NSynonyms
(Z)2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)N(1(3nitrophenyl)ethylidene)acetohydrazide
2((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)N((E)1(3nitrophenyl)ethylideneamino)acetamide
2((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(3NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)(N+)(=O)(O)
COc1cc(ccc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=C(c1cccc(c1)(N+)(=O)(O))C
InChI=1SC26H24N6O5Sc117(18871121(1418)32(34)35)272824(33)163826302925(31(26)2095461020)19121322(362)23(1519)373h415H16H213H3(H2833)b2717+
MFCD03088363
STK087456
ZINC000100302722
ZINC100302726
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