Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide
Catalog ID
STL055088
SMILES O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)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 C25H28N6O3S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O3S/c1-17-11-13-19(14-12-17)24-28-29-25(30(24)21-8-4-3-5-9-21)35-16-23(32)27-26-18(2)20-7-6-10-22(15-20)31(33)34/h6-7,10-15,21H,3-5,8-9,16H2,1-2H3,(H,27,32)/b26-18+InChIKey
DYXDRZNUKZQWJR-NLRVBDNBSA-NSynonyms
(Z)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)N(1(3nitrophenyl)ethylidene)acetohydrazide
2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)N((E)1(3nitrophenyl)ethylideneamino)acetamide
2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)N((1E)1(3nitrophenyl)ethylidene)acetohydrazide
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=C(C)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC25H28N6O3Sc117111319(141217)24282925(30(24)218435921)351623(32)272618(2)20761022(1520)31(33)34h67101521H358916H212H3(H2732)b2618+
MFCD05735889
ZINC000016955618
ZINC09432092
ZINC9432092
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