Vitas-M small molecule compound
4-[({[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL044491
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)[O-])[nH+]nc1c1cccnc1
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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 C24H21N5O4S MW 475.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O4S/c1-2-33-20-11-9-19(10-12-20)29-22(17-4-3-13-25-14-17)27-28-24(29)34-15-21(30)26-18-7-5-16(6-8-18)23(31)32/h3-14H,2,15H2,1H3,(H,26,30)(H,31,32)InChIKey
KJZQFGUPQDMJNN-UHFFFAOYSA-NSynonyms
577961-51-44((((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol2ium3yl)sulfanyl)acetyl)amino)benzoate
4((((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((4(4ETHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4(2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOICACID
4(2(4(4ETHOXYPHENYL)5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOICACID
577961514
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)(O))(nH+)nc1c1cccnc1
InChI=1SC24H21N5O4Sc12332011919(101220)2922(174313251417)272824(29)341521(30)26187516(6818)23(31)32h314H215H21H3(H2630)(H3132)
MFCD03474811
ZINC000002384919
ZINC2384919
Check stock
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