Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-({5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK218685
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1COc1ccccc1C

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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-3-10-26-20(12-28-17-7-5-4-6-15(17)2)24-25-22(26)31-13-21(27)23-16-8-9-18-19(11-16)30-14-29-18/h3-9,11H,1,10,12-14H2,2H3,(H,23,27)
InChIKey
FXVWLIOMVZITEO-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC22H22N4O4Sc13102620(122817754615(17)2)242522(26)311321(27)2316891819(1116)30142918h3911H1101214H22H3(H2327)
MFCD07399467
N(13BENZODIOXOL5YL)2((5((2METHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZODIOXOL5YL)2((5((2METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009263518
ZINC09263518
ZINC9263518

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Available files

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