Vitas-M small molecule compound
6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827558
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)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 C28H26N4O3S2 MW 530.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S2/c1-18-25(27(34)32-21-11-6-7-12-22(21)35-2)26(23-13-8-14-36-23)20(15-29)28(31-18)37-17-24(33)30-16-19-9-4-3-5-10-19/h3-14,26,31H,16-17H2,1-2H3,(H,30,33)(H,32,34)InChIKey
ZESCJUZFSVVCBQ-UHFFFAOYSA-NSynonyms
6((2(benzylamino)2oxoethyl)sulfanyl)5cyanoN(2methoxyphenyl)2methyl4(thiophen2yl)14dihydropyridine3carboxamide
6(2(benzylamino)2oxoethyl)sulfanyl5cyanoN(2methoxyphenyl)2methyl4thiophen2yl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4OC
InChI=1SC28H26N4O3S2c11825(27(34)322111671222(21)352)26(23138143623)20(1529)28(3118)371724(33)30161994351019h3142631H1617H212H3(H3033)(H3234)
MFCD10088061
ZINC000102719473
ZINC000102719476
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