Vitas-M small molecule compound

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

Catalog ID
STL061935
SMILES C=CCn1c(COc2ccc(cc2)C)nnc1SCC(=O)c1ccccc1

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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(14-26-18-11-9-16(2)10-12-18)22-23-21(24)27-15-19(25)17-7-5-4-6-8-17/h3-12H,1,13-15H2,2H3
InChIKey
XLKQMAFSRQVELF-UHFFFAOYSA-N
Synonyms
861643-40-5
2((4allyl5((ptolyloxy)methyl)4H124triazol3yl)thio)1phenylethanone
2((5((4methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1phenylethanone
2((5((4METHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
861643405
CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3
InChI=1SC21H21N3O2Sc13132420(14261811916(2)101218)222321(24)271519(25)177546817h312H11315H22H3
MFCD05685909
ZINC000005498986
ZINC05498986
ZINC5498986

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Available files

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