Vitas-M small molecule compound
ethyl 4-[({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK117807
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1COc1ccccc1
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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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-3-26-19(14-30-18-8-6-5-7-9-18)24-25-22(26)31-15-20(27)23-17-12-10-16(11-13-17)21(28)29-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,23,27)InChIKey
HMCKULXRVRIKTF-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)COC3=CC=CC=C3
ETHYL4((((4ETHYL5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((4ETHYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H24N4O4Sc132619(1430188657918)242522(26)311520(27)2317121016(111317)21(28)2942h513H341415H212H3(H2327)
MFCD04091027
ZINC000000687572
ZINC00687572
ZINC687572
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