Vitas-M small molecule compound
methyl 5-cyano-4-(4-methylphenyl)-6-{[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK538659
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc2c(c1)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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-16-7-9-18(10-8-16)23-21(14-28)26(30-25(32)24(23)27(33)34-2)35-15-22(31)29-20-12-11-17-5-3-4-6-19(17)13-20/h3-13,23-24H,15H2,1-2H3,(H,29,31)(H,30,32)InChIKey
ALMSSVLBODOHOG-UHFFFAOYSA-NSynonyms
383894-23-3383894233
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C(=O)OC
InChI=1SC27H23N3O4Sc1167918(10816)2321(1428)26(3025(32)24(23)27(33)342)351522(31)2920121117534619(17)1320h3132324H15H212H3(H2931)(H3032)
methyl5cyano4(4methylphenyl)6((2(naphthalen2ylamino)2oxoethyl)sulfanyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO4(4METHYLPHENYL)6(2(NAPHTHALEN2YLAMINO)2OXOETHYL)SULFANYL2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
methyl5cyano6((2(naphthalen2ylamino)2oxoethyl)thio)2oxo4(ptolyl)1234tetrahydropyridine3carboxylate
MFCD03000641
ZINC000009110456
ZINC000016974723
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