Vitas-M small molecule compound

methyl 4-[({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL026072
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1cccc(c1)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-4-12-26-20(16-6-5-7-18(13-16)29-2)24-25-22(26)31-14-19(27)23-17-10-8-15(9-11-17)21(28)30-3/h4-11,13H,1,12,14H2,2-3H3,(H,23,27)
InChIKey
MALPNFXDUGUUDQ-UHFFFAOYSA-N
Synonyms
861109-92-4
861109924
COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC22H22N4O4Sc14122620(1665718(1316)292)242522(26)311419(27)231710815(91117)21(28)303h41113H11214H223H3(H2327)
methyl4((((5(3methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(3METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4allyl5(3methoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(5(3METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05682377
ZINC000013803687
ZINC13803687

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Available files

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