Vitas-M small molecule compound
ethyl 8,8-dimethyl-5-(2-methylpropyl)-1-{[(phenylcarbonyl)carbamothioyl]amino}-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Catalog ID
STK606992
SMILES CCOC(=O)c1sc2c(c1NC(=S)NC(=O)c1ccccc1)c1CC(C)(C)OCc1c(n2)CC(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 C27H31N3O4S2 MW 525.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S2/c1-6-33-25(32)22-21(29-26(35)30-23(31)16-10-8-7-9-11-16)20-17-13-27(4,5)34-14-18(17)19(12-15(2)3)28-24(20)36-22/h7-11,15H,6,12-14H2,1-5H3,(H2,29,30,31,35)InChIKey
WSUQHNGUMURVTJ-UHFFFAOYSA-NSynonyms
799823-80-6799823806
CCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)CC(C)C)(C)C)NC(=S)NC(=O)C4=CC=CC=C4
ethyl1(3benzoylthioureido)5isobutyl88dimethyl89dihydro6Hpyrano(43d)thieno(23b)pyridine2carboxylate
ethyl88dimethyl5(2methylpropyl)1(((phenylcarbonyl)carbamothioyl)amino)89dihydro6Hpyrano(43d)thieno(23b)pyridine2carboxylate
InChI=1SC27H31N3O4S2c163325(32)2221(2926(35)3023(31)16108791116)20171327(45)341418(17)19(1215(2)3)2824(20)3622h71115H61214H215H3(H229303135)
MFCD03682505
ZINC000008744564
ZINC08744564
ZINC8744564
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