Vitas-M small molecule compound

2-({5-[(4-methoxyphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone

Catalog ID
STK218904
SMILES C=CCn1c(nnc1SCC(=O)c1ccccc1)COc1ccc(cc1)OC

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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-3-13-24-20(14-27-18-11-9-17(26-2)10-12-18)22-23-21(24)28-15-19(25)16-7-5-4-6-8-16/h3-12H,1,13-15H2,2H3
InChIKey
KPTQQKWXDNPYEI-UHFFFAOYSA-N
Synonyms

2((5((4METHOXYPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5((4METHOXYPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3
InChI=1SC21H21N3O3Sc13132420(14271811917(262)101218)222321(24)281519(25)167546816h312H11315H22H3
MFCD06000123
ZINC000001074310
ZINC01074310
ZINC1074310

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Available files

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