Vitas-M small molecule compound

2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

Catalog ID
STL339631
SMILES O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)[N+](=O)[O-]

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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 C18H15ClN6O3S MW 430.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN6O3S/c1-24-17(13-3-2-4-14(19)9-13)22-23-18(24)29-11-16(26)21-20-10-12-5-7-15(8-6-12)25(27)28/h2-10H,11H2,1H3,(H,21,26)/b20-10+
InChIKey
XCYBJLJSGHVOLG-KEBDBYFISA-N
Synonyms
347909-72-2
(E)2((5(3chlorophenyl)4methyl4H124triazol3yl)thio)N(4nitrobenzylidene)acetohydrazide
2((5(3CHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N((E)(4NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(3chlorophenyl)4methyl4H124triazol3yl)sulfanyl)N((E)(4nitrophenyl)methylidene)acetohydrazide
347909722
CN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=CC=C3)Cl
InChI=1SC18H15ClN6O3Sc12417(1332414(19)913)222318(24)291116(26)212010125715(8612)25(27)28h210H11H21H3(H2126)b2010+
MFCD02609933
O=C(CSc1nnc(n1C)c1cccc(c1)Cl)NN=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000009353710
ZINC33334954

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Available files

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