Vitas-M small molecule compound
6-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-5-cyano-N-(4-ethoxyphenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826761
SMILES CCOc1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1nc2c(s1)cccc2
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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/c1-3-37-19-12-10-18(11-13-19)32-27(36)25-17(2)31-28(20(15-30)26(25)22-8-6-14-38-22)39-16-24(35)34-29-33-21-7-4-5-9-23(21)40-29/h4-14,26,31H,3,16H2,1-2H3,(H,32,36)(H,33,34,35)InChIKey
SAXNMDAFEHYEHP-UHFFFAOYSA-NSynonyms
6((2(13benzothiazol2ylamino)2oxoethyl)sulfanyl)5cyanoN(4ethoxyphenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
6(2(13benzothiazol2ylamino)2oxoethyl)sulfanyl5cyanoN(4ethoxyphenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC4=NC5=CC=CC=C5S4)C
InChI=1SC29H25N5O4S2c133719121018(111319)3227(36)2517(2)3128(20(1530)26(25)2286143822)391624(35)34293321745923(21)4029h4142631H316H212H3(H3236)(H333435)
MFCD10086703
ZINC000102808385
ZINC000102808387
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