Vitas-M small molecule compound

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

Catalog ID
STL228865
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nnc1c1cccnc1

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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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-2-30-20-11-9-19(10-12-20)27-21(18-4-3-13-24-14-18)25-26-23(27)31-15-16-5-7-17(8-6-16)22(28)29/h3-14H,2,15H2,1H3,(H,28,29)
InChIKey
ZNJWLQUWMBBKCK-UHFFFAOYSA-N
Synonyms

4(((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)methyl)benzoicacid
4((4(4ETHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4
InChI=1SC23H20N4O3Sc12302011919(101220)2721(184313241418)252623(27)3115165717(8616)22(28)29h314H215H21H3(H2829)
MFCD03474829
ZINC000002508645
ZINC2508645

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Available files

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