Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886046
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)NC1CCCCC1)c1ccccc1
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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 C29H30ClN3O3S MW 536.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN3O3S/c1-2-36-29(35)26-25(21-15-9-10-16-23(21)30)22(17-31)28(33-27(26)19-11-5-3-6-12-19)37-18-24(34)32-20-13-7-4-8-14-20/h3,5-6,9-12,15-16,20,25,33H,2,4,7-8,13-14,18H2,1H3,(H,32,34)InChIKey
PPBZNMCZHGKRMT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3CCCCC3)C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6(2(cyclohexylamino)2oxoethyl)sulfanyl2phenyl14dihydropyridine3carboxylate
InChI=1SC29H30ClN3O3Sc123629(35)2625(21159101623(21)30)22(1731)28(3327(26)19115361219)371824(34)3220137481420h3569121516202533H2478131418H21H3(H3234)
MFCD10086597
ZINC000101304959
ZINC000101304964
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