Vitas-M small molecule compound

N-cyclohexyl-2-{[5-(4-nitrobenzyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK244458
SMILES O=C(NC1CCCCC1)CSc1nnc(n1c1ccccc1)Cc1ccc(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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c29-22(24-18-7-3-1-4-8-18)16-32-23-26-25-21(27(23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)28(30)31/h2,5-6,9-14,18H,1,3-4,7-8,15-16H2,(H,24,29)
InChIKey
UQSGFADREJZLQW-UHFFFAOYSA-N
Synonyms

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H25N5O3Sc2922(24187314818)163223262521(27(23)1995261019)1517111320(141217)28(30)31h25691418H134781516H2(H2429)
MFCD06621739
NCYCLOHEXYL2((5((4NITROPHENYL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
Ncyclohexyl2((5(4nitrobenzyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
O=C(NC1CCCCC1)CSc1nnc(n1c1ccccc1)Cc1ccc(cc1)(N+)(=O)(O)
ZINC000009192700
ZINC09192700
ZINC9192700

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Available files

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