Vitas-M small molecule compound

3-[(3-chlorobenzyl)sulfanyl]-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole

Catalog ID
STK743959
SMILES Clc1cccc(c1)CSc1nnc(n1c1ccccc1)Cn1c(C)ncc1[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 C20H17ClN6O2S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6O2S/c1-14-22-11-19(27(28)29)25(14)12-18-23-24-20(26(18)17-8-3-2-4-9-17)30-13-15-6-5-7-16(21)10-15/h2-11H,12-13H2,1H3
InChIKey
ACKSVVAJCXISGF-UHFFFAOYSA-N
Synonyms

3((3chlorobenzyl)sulfanyl)5((2methyl5nitro1Himidazol1yl)methyl)4phenyl4H124triazole
3((3CHLOROPHENYL)METHYLSULFANYL)5((2METHYL5NITROIMIDAZOL1YL)METHYL)4PHENYL124TRIAZOLE
CC1=NC=C(N1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl)(N+)(=O)(O)
Clc1cccc(c1)CSc1nnc(n1c1ccccc1)Cn1c(C)ncc1(N+)(=O)(O)
InChI=1SC20H17ClN6O2Sc114221119(27(28)29)25(14)1218232420(26(18)178324917)30131565716(21)1015h211H1213H21H3
MFCD06017015
ZINC000012427693
ZINC12427693

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Available files

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