Vitas-M small molecule compound

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

Catalog ID
STK067004
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1cccc(c1)[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 C27H26N6O3S MW 514.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N6O3S/c1-27(2,3)21-14-12-20(13-15-21)25-30-31-26(32(25)22-9-5-4-6-10-22)37-18-24(34)29-28-17-19-8-7-11-23(16-19)33(35)36/h4-17H,18H2,1-3H3,(H,29,34)/b28-17+
InChIKey
ZCUUHAPTVVLVTN-OGLMXYFKSA-N
Synonyms
361164-41-2
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(3nitrobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(3NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(3NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361164412
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC27H26N6O3Sc127(23)21141220(131521)25303126(32(25)2295461022)371824(34)29281719871123(1619)33(35)36h417H18H213H3(H2934)b2817+
MFCD02641903
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1cccc(c1)(N+)(=O)(O)
STK067004
ZINC000001761615
ZINC33343025

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Available files

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