Vitas-M small molecule compound
4-{[({[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}acetyl)amino]methyl}cyclohexanecarboxylic acid
Catalog ID
STK639324
SMILES COc1cc2nc(CSCC(=O)NCC3CCC(CC3)C(=O)O)nc(c2cc1OC)O
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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 C21H27N3O6S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6S/c1-29-16-7-14-15(8-17(16)30-2)23-18(24-20(14)26)10-31-11-19(25)22-9-12-3-5-13(6-4-12)21(27)28/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,22,25)(H,27,28)(H,23,24,26)InChIKey
AEHVKFKQAHUQLW-UHFFFAOYSA-NSynonyms
1212151-77-31212151773
4((((((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2((67dimethoxy4oxo1Hquinazolin2yl)methylsulfanyl)acetyl)amino)methyl)cyclohexane1carboxylicacid
COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)NCC3CCC(CC3)C(=O)O)OC
InChI=1SC21H27N3O6Sc1291671415(817(16)302)2318(2420(14)26)10311119(25)229123513(6412)21(27)28h781213H36911H212H3(H2225)(H2728)(H232426)
MFCD18161957
ZINC000020732397
ZINC101589744
ZINC20732397
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