Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK887385
SMILES COC(=O)C1C(=O)NC(=C(C1c1cc(OC)c(c(c1)OC)OC)C#N)SCC(=O)Nc1ccccc1CC
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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 C27H29N3O7S MW 539.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O7S/c1-6-15-9-7-8-10-18(15)29-21(31)14-38-26-17(13-28)22(23(25(32)30-26)27(33)37-5)16-11-19(34-2)24(36-4)20(12-16)35-3/h7-12,22-23H,6,14H2,1-5H3,(H,29,31)(H,30,32)InChIKey
DQPGIOZFGMUAJH-UHFFFAOYSA-NSynonyms
383896-24-0383896240
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C#N
InChI=1SC27H29N3O7Sc16159781018(15)2921(31)14382617(1328)22(23(25(32)3026)27(33)375)161119(342)24(364)20(1216)353h7122223H614H215H3(H2931)(H3032)
methyl5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)2oxo4(345trimethoxyphenyl)1234tetrahydropyridine3carboxylate
methyl5cyano6((2((2ethylphenyl)amino)2oxoethyl)thio)2oxo4(345trimethoxyphenyl)1234tetrahydropyridine3carboxylate
METHYL5CYANO6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL2OXO4(345TRIMETHOXYPHENYL)34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03000779
ZINC000002312303
ZINC000002312306
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