Vitas-M small molecule compound
methyl (2Z)-2-({[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]carbonyl}imino)-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL316386
SMILES COC(=O)c1[nH]/c(=N/C(=O)C2CCCN(C2)c2nc(C)cc(n2)C)/sc1CC(C)C
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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 C21H29N5O3S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O3S/c1-12(2)9-16-17(19(28)29-5)24-21(30-16)25-18(27)15-7-6-8-26(11-15)20-22-13(3)10-14(4)23-20/h10,12,15H,6-9,11H2,1-5H3,(H,24,25,27)InChIKey
NUNZKZYMWLVNBB-UHFFFAOYSA-NSynonyms
1401588-62-21401588622
CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=NC(=C(S3)CC(C)C)C(=O)OC)C
COC(=O)c1(nH)c(=NC(=O)C2CCCN(C2)c2nc(C)cc(n2)C)sc1CC(C)C
InChI=1SC21H29N5O3Sc112(2)91617(19(28)295)2421(3016)2518(27)1576826(1115)202213(3)1014(4)2320h101215H6911H215H3(H242527)
methyl(2Z)2(((1(46dimethylpyrimidin2yl)piperidin3yl)carbonyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2((1(46dimethylpyrimidin2yl)piperidine3carbonyl)amino)5(2methylpropyl)13thiazole4carboxylate
MFCD28027783
ZINC000079501538
ZINC000079501541
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