Vitas-M small molecule compound
ethyl 4-({[6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK886345
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)NC(C)(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 C27H30N4O5S MW 522.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5S/c1-6-35-26(34)17-9-11-18(12-10-17)30-24(33)22-16(2)29-25(37-15-21(32)31-27(3,4)5)19(14-28)23(22)20-8-7-13-36-20/h7-13,23,29H,6,15H2,1-5H3,(H,30,33)(H,31,32)InChIKey
DQLYAHFJAAXZPN-UHFFFAOYSA-NSynonyms
799785-99-2799785992
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC(C)(C)C)C
ethyl4(((6((2(tertbutylamino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
ETHYL4(((6((2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL)5CYANO4FURAN2YL2METHYL14DIHYDROPYRIDIN3YL)CARBONYL)AMINO)BENZOATE
ETHYL4((6(2(TERTBUTYLAMINO)2OXOETHYL)SULFANYL5CYANO4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBONYL)AMINO)BENZOATE
ethyl4(6((2(tertbutylamino)2oxoethyl)thio)5cyano4(furan2yl)2methyl14dihydropyridine3carboxamido)benzoate
InChI=1SC27H30N4O5Sc163526(34)1791118(121017)3024(33)2216(2)2925(371521(32)3127(34)5)19(1428)23(22)2087133620h7132329H615H215H3(H3033)(H3132)
MFCD03675457
ZINC000009012062
ZINC000009012063
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.