Vitas-M small molecule compound

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

Catalog ID
STK230378
SMILES C=CCn1c(SCC(=O)c2ccccc2)nnc1c1ccc(c(c1)OC)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/c1-4-12-24-20(16-10-11-18(26-2)19(13-16)27-3)22-23-21(24)28-14-17(25)15-8-6-5-7-9-15/h4-11,13H,1,12,14H2,2-3H3
InChIKey
WMMWNMIARXQLRP-UHFFFAOYSA-N
Synonyms
690247-30-4
2((4ALLYL5(34DIMETHOXYPHENYL)4H124TRIAZOL3YL)THIO)1PHENYLETHANONE
2((5(34DIMETHOXYPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(34DIMETHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5(34DIMETHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
690247304
COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)OC
InChI=1SC21H21N3O3Sc14122420(16101118(262)19(1316)273)222321(24)281417(25)158657915h41113H11214H223H3
MFCD04445565
ZINC000002700580
ZINC02700580
ZINC2700580

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Available files

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