Vitas-M small molecule compound
6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-N-(4-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK886190
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)OC)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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c1-18-25(27(34)32-20-10-12-21(35-2)13-11-20)26(23-9-6-14-36-23)22(15-29)28(31-18)37-17-24(33)30-16-19-7-4-3-5-8-19/h3-14,26,31H,16-17H2,1-2H3,(H,30,33)(H,32,34)InChIKey
XPPKXSMMVVFRQH-UHFFFAOYSA-NSynonyms
6((2(benzylamino)2oxoethyl)sulfanyl)5cyano4(furan2yl)N(4methoxyphenyl)2methyl14dihydropyridine3carboxamide
6(2(benzylamino)2oxoethyl)sulfanyl5cyano4(furan2yl)N(4methoxyphenyl)2methyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)OC
InChI=1SC28H26N4O4Sc11825(27(34)3220101221(352)131120)26(2396143623)22(1529)28(3118)371724(33)3016197435819h3142631H1617H212H3(H3033)(H3234)
MFCD10086660
ZINC000012250467
ZINC000012250468
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