Vitas-M small molecule compound

N-{[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-chloroaniline

Catalog ID
STL171275
SMILES Clc1ccc(cc1)NCc1nnc(n1c1ccccc1)SCc1ccccc1

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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 C22H19ClN4S MW 406.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4S/c23-18-11-13-19(14-12-18)24-15-21-25-26-22(27(21)20-9-5-2-6-10-20)28-16-17-7-3-1-4-8-17/h1-14,24H,15-16H2
InChIKey
MWIGXJGOFYBLJD-UHFFFAOYSA-N
Synonyms

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl
InChI=1SC22H19ClN4Sc2318111319(141218)241521252622(27(21)2095261020)2816177314817h11424H1516H2
MFCD01432008
N((5(benzylsulfanyl)4phenyl4H124triazol3yl)methyl)4chloroaniline
N((5benzylsulfanyl4phenyl124triazol3yl)methyl)4chloroaniline
ZINC000002738877
ZINC02738877
ZINC2738877

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Available files

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