Vitas-M small molecule compound

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

Catalog ID
STK106111
SMILES CCn1c(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 C20H19ClN6O3S MW 458.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN6O3S/c1-3-26-19(14-7-9-16(21)10-8-14)24-25-20(26)31-12-18(28)23-22-13(2)15-5-4-6-17(11-15)27(29)30/h4-11H,3,12H2,1-2H3,(H,23,28)/b22-13-
InChIKey
SVFDPPBWHWNZLF-XKZIYDEJSA-N
Synonyms

(E)2((5(4chlorophenyl)4ethyl4H124triazol3yl)thio)N(1(3nitrophenyl)ethylidene)acetohydrazide
2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((Z)1(3NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((1Z)1(3NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)Cl
CCn1c(SCC(=O)NN=C(c2cccc(c2)(N+)(=O)(O))C)nnc1c1ccc(cc1)Cl
InChI=1SC20H19ClN6O3Sc132619(147916(21)10814)242520(26)311218(28)232213(2)1554617(1115)27(29)30h411H312H212H3(H2328)b2213
MFCD03218783
N((1Z)2(3NITROPHENYL)1AZAPROP1ENYL)2(5(4CHLOROPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001473917
ZINC08817832
ZINC8817832

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.