Vitas-M small molecule compound

N-(3-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK261263
SMILES COc1cccc(c1)NC(=O)CSc1nnc(n1CC(C)C)c1cccnc1

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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 C20H23N5O2S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O2S/c1-14(2)12-25-19(15-6-5-9-21-11-15)23-24-20(25)28-13-18(26)22-16-7-4-8-17(10-16)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)
InChIKey
YMKYEOJWNKPWFY-UHFFFAOYSA-N
Synonyms

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CN=CC=C3
InChI=1SC20H23N5O2Sc114(2)122519(15659211115)232420(25)281318(26)221674817(1016)273h41114H1213H213H3(H2226)
MFCD08685560
N(3methoxyphenyl)2((4(2methylpropyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(3methoxyphenyl)2((4(2methylpropyl)5pyridin3yl124triazol3yl)sulfanyl)acetamide
ZINC000009225952
ZINC09225952
ZINC9225952

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Available files

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