Vitas-M small molecule compound
4-(benzylcarbamoyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1-{[(E)-(4-methylphenyl)methylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL442161
SMILES Cc1ccc(cc1)/C=N/n1n[n+](c(c1[O-])C(=O)NCc1ccccc1)CC(=O)c1ccc(cc1)Cl
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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 C26H22ClN5O3 MW 487.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5O3/c1-18-7-9-20(10-8-18)16-29-32-26(35)24(25(34)28-15-19-5-3-2-4-6-19)31(30-32)17-23(33)21-11-13-22(27)14-12-21/h2-14,16H,15,17H2,1H3,(H-,28,30,34,35)/b29-16+InChIKey
WLSLVUXTMBWPKA-MUFRIFMGSA-NSynonyms
4(benzylcarbamoyl)3(2(4chlorophenyl)2oxoethyl)1(((E)(4methylphenyl)methylidene)amino)1H123triazol3ium5olate
5(benzylcarbamoyl)1(2(4chlorophenyl)2oxoethyl)3((E)(4methylphenyl)methylideneamino)triazol1ium4olate
CC1=CC=C(C=C1)C=NN2C(=C((N+)(=N2)CC(=O)C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4)(O)
Cc1ccc(cc1)C=Nn1n(n+)(c(c1(O))C(=O)NCc1ccccc1)CC(=O)c1ccc(cc1)Cl
InChI=1SC26H22ClN5O3c1187920(10818)16293226(35)24(25(34)2815195324619)31(3032)1723(33)21111322(27)141221h21416H1517H21H3(H28303435)b2916+
MFCD09992846
ZINC000033436101
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