Vitas-M small molecule compound

2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]acetohydrazide

Catalog ID
STK110722
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2cccc(c2)[N+](=O)[O-])/C)nnc1c1ccc(cc1)Cl

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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 C26H23ClN6O4S MW 551.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN6O4S/c1-3-37-23-13-11-21(12-14-23)32-25(18-7-9-20(27)10-8-18)30-31-26(32)38-16-24(34)29-28-17(2)19-5-4-6-22(15-19)33(35)36/h4-15H,3,16H2,1-2H3,(H,29,34)/b28-17-
InChIKey
VGGSBNWSXIYJKE-QRQIAZFYSA-N
Synonyms

(E)2((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)thio)N(1(3nitrophenyl)ethylidene)acetohydrazide
2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)1(3NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z)1(3NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=C(C)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=C(C=C4)Cl
CCOc1ccc(cc1)n1c(SCC(=O)NN=C(c2cccc(c2)(N+)(=O)(O))C)nnc1c1ccc(cc1)Cl
InChI=1SC26H23ClN6O4Sc133723131121(121423)3225(187920(27)10818)303126(32)381624(34)292817(2)1954622(1519)33(35)36h415H316H212H3(H2934)b2817
MFCD03220284
N((1Z)2(3NITROPHENYL)1AZAPROP1ENYL)2(5(4CHLOROPHENYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000097939485
ZINC101514898

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Available files

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