Vitas-M small molecule compound

4-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid

Catalog ID
STK036641
SMILES Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nnc1c1ccncc1

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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 C22H18N4O2S MW 402.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O2S/c1-15-2-8-19(9-3-15)26-20(17-10-12-23-13-11-17)24-25-22(26)29-14-16-4-6-18(7-5-16)21(27)28/h2-13H,14H2,1H3,(H,27,28)
InChIKey
QUWKINLXMRTFOV-UHFFFAOYSA-N
Synonyms
499124-82-2
4(((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL2IUM3YL)SULFANYL)METHYL)BENZOATE
4(((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOICACID
4(((5(pyridin4yl)4(ptolyl)4H124triazol3yl)thio)methyl)benzoicacid
4((4(4METHYLPHENYL)5(4PYRIDYL)124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((4(4METHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4(4METHYLPHENYL)5PYRIDIN4YL1H124TRIAZOL4IUM3YL)SULFANYLMETHYL)BENZOATE
4(5PYRIDIN4YL4PTOLYL4H(124)TRIAZOL3YLSULFANYLMETHYL)BENZOICACID
499124822
CC1=CC=C(C=C1)(N+)2=C(NN=C2SCC3=CC=C(C=C3)C(=O)(O))C4=CC=NC=C4
Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nnc1c1ccncc1
InChI=1SC22H18N4O2Sc1152819(9315)2620(17101223131117)242522(26)2914164618(7516)21(27)28h213H14H21H3(H2728)
STK036641
ZINC4608075

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Available files

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