Vitas-M small molecule compound

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

Catalog ID
STK218901
SMILES C=CCn1c(nnc1SCC(=O)c1ccccc1)Cc1ccc(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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-3-13-24-20(14-16-9-11-18(26-2)12-10-16)22-23-21(24)27-15-19(25)17-7-5-4-6-8-17/h3-12H,1,13-15H2,2H3
InChIKey
SBQLFBKNKKXWTA-UHFFFAOYSA-N
Synonyms

2((5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(4METHOXYBENZYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5((4METHOXYPHENYL)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3
InChI=1SC21H21N3O2Sc13132420(141691118(262)121016)222321(24)271519(25)177546817h312H11315H22H3
MFCD06000100
ZINC000001074245
ZINC01074245
ZINC1074245

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Available files

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