Vitas-M small molecule compound

3-[(4-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STL061942
SMILES C=CCn1c(nnc1COc1ccc(cc1)C)SCc1ccc(cc1)[N+](=O)[O-]

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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-3-12-23-19(13-27-18-10-4-15(2)5-11-18)21-22-20(23)28-14-16-6-8-17(9-7-16)24(25)26/h3-11H,1,12-14H2,2H3
InChIKey
ADRJEJPOBPJNMX-UHFFFAOYSA-N
Synonyms
714238-63-8
3((4methylphenoxy)methyl)5((4nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3((4METHYLPHENOXY)METHYL)5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
3(4METHYLPHENOXYMETHYL)5(((4NITROPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOLE
4allyl3((4nitrobenzyl)thio)5((ptolyloxy)methyl)4H124triazole
4METHYL1((5((4NITROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)BENZENE
714238638
C=CCn1c(nnc1COc1ccc(cc1)C)SCc1ccc(cc1)(N+)(=O)(O)
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H20N4O3Sc13122319(13271810415(2)51118)212220(23)2814166817(9716)24(25)26h311H11214H22H3
MFCD05682347
ZINC000005477655
ZINC05477655
ZINC5477655

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Available files

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