Vitas-M small molecule compound
ethyl 3-[({[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139642
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OCC)nnc1c1ccccc1
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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-3-13-26-20(16-9-6-5-7-10-16)24-25-22(26)30-15-19(27)23-18-12-8-11-17(14-18)21(28)29-4-2/h3,5-12,14H,1,4,13,15H2,2H3,(H,23,27)InChIKey
MJMBSCGDYKJDAF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3
ETHYL3((((5PHENYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL3((2((5PHENYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H22N4O3Sc13132620(1696571016)242522(26)301519(27)23181281117(1418)21(28)2942h351214H141315H22H3(H2327)
MFCD05992250
ZINC000002860409
ZINC02860409
ZINC2860409
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