Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-5-cyano-6-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885766
SMILES CCOc1ccccc1NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1nc2c(s1)cccc2)c1ccco1
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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 C29H25N5O4S2 MW 571.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O4S2/c1-3-37-21-11-6-4-9-19(21)32-24(35)16-39-28-18(15-30)26(22-12-8-14-38-22)25(17(2)31-28)27(36)34-29-33-20-10-5-7-13-23(20)40-29/h4-14,26,31H,3,16H2,1-2H3,(H,32,35)(H,33,34,36)InChIKey
XFCAXJIYEYPZET-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CO5)C#N
InChI=1SC29H25N5O4S2c1337211164919(21)3224(35)16392818(1530)26(22128143822)25(17(2)3128)27(36)3429332010571323(20)4029h4142631H316H212H3(H3235)(H333436)
MFCD04219050
N(13benzothiazol2yl)5cyano6((2((2ethoxyphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
N(13BENZOTHIAZOL2YL)5CYANO6(2(2ETHOXYANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXAMIDE
N13BENZOTHIAZOL2YL5CYANO6((2((2ETHOXYPHENYL)AMINO)2OXOETHYL)THIO)4(2FURYL)2METHYL14DIHYDRO3PYRIDINECARBOXAMIDE
ZINC000017522626
ZINC000017522628
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