Vitas-M small molecule compound

2-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide

Catalog ID
STL362329
SMILES O=C(CSc1nc2c(n1Cc1ccc(cc1)Cl)cccc2)N/N=C/c1ccc(c(c1)[N+](=O)[O-])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 C23H17Cl2N5O3S MW 514.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl2N5O3S/c24-17-8-5-15(6-9-17)13-29-20-4-2-1-3-19(20)27-23(29)34-14-22(31)28-26-12-16-7-10-18(25)21(11-16)30(32)33/h1-12H,13-14H2,(H,28,31)/b26-12+
InChIKey
NEGOPGSGJPGHQG-RPPGKUMJSA-N
Synonyms
315225-48-0
(E)N(4chloro3nitrobenzylidene)2((1(4chlorobenzyl)1Hbenzo(d)imidazol2yl)thio)acetohydrazide
2((1(4chlorobenzyl)1Hbenzimidazol2yl)sulfanyl)N((E)(4chloro3nitrophenyl)methylidene)acetohydrazide
315225480
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC23H17Cl2N5O3Sc24178515(6917)132920421319(20)2723(29)341422(31)2826121671018(25)21(1116)30(32)33h112H1314H2(H2831)b2612+
MFCD02077165
N((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)2(1((4CHLOROPHENYL)METHYL)BENZIMIDAZOL2YLTHIO)ACETAMIDE
N((E)(4chloro3nitrophenyl)methylideneamino)2(1((4chlorophenyl)methyl)benzimidazol2yl)sulfanylacetamide
O=C(CSc1nc2c(n1Cc1ccc(cc1)Cl)cccc2)NN=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000013205200
ZINC51075652

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Available files

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