Vitas-M small molecule compound
4-[({[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK129718
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1c1ccccc1C
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-3-12-25-19(17-7-5-4-6-14(17)2)23-24-21(25)29-13-18(26)22-16-10-8-15(9-11-16)20(27)28/h3-11H,1,12-13H2,2H3,(H,22,26)(H,27,28)InChIKey
WPWHOHQFSMMLPH-UHFFFAOYSA-NSynonyms
4((((5(2METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((5(2METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC21H20N4O3Sc13122519(17754614(17)2)232421(25)291318(26)221610815(91116)20(27)28h311H11213H22H3(H2226)(H2728)
MFCD05992154
ZINC000002859626
ZINC2859626
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