Vitas-M small molecule compound
dimethyl 2-[({[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
Catalog ID
STL376872
SMILES COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1c1ccccc1)CN1CCOCC1)C(=O)OC
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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 C25H27N5O6S MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O6S/c1-34-23(32)17-8-9-19(24(33)35-2)20(14-17)26-22(31)16-37-25-28-27-21(15-29-10-12-36-13-11-29)30(25)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,26,31)InChIKey
HDTMPAWXWBBBNW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4
dimethyl2((((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
DIMETHYL2((2((5(MORPHOLIN4YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC25H27N5O6Sc13423(32)178919(24(33)352)20(1417)2622(31)163725282721(1529101236131129)30(25)186435718h3914H10131516H212H3(H2631)
MFCD06760614
ZINC000019799488
ZINC19799488
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