Vitas-M small molecule compound
methyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887305
SMILES CCOc1ccccc1C1C(=C(SCC(=O)NC2CCCCC2)NC(=C1C(=O)OC)C)C#N
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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 C25H31N3O4S MW 469.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4S/c1-4-32-20-13-9-8-12-18(20)23-19(14-26)24(27-16(2)22(23)25(30)31-3)33-15-21(29)28-17-10-6-5-7-11-17/h8-9,12-13,17,23,27H,4-7,10-11,15H2,1-3H3,(H,28,29)InChIKey
BTMZCHIFEWXWJB-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)NC3CCCCC3)C#N
InChI=1SC25H31N3O4Sc14322013981218(20)2319(1426)24(2716(2)22(23)25(30)313)331521(29)2817106571117h891213172327H47101115H213H3(H2829)
METHYL5CYANO6((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4(2ETHOXYPHENYL)2METHYL14DIHYDRO3PYRIDINECARBOXYLATE
methyl5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)4(2ethoxyphenyl)2methyl14dihydropyridine3carboxylate
METHYL5CYANO6(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4(2ETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03723923
ZINC000000728998
ZINC000019901171
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