Vitas-M small molecule compound
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887418
SMILES CCOc1ccccc1NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OC(C)(C)C)c1ccc(cc1)Cl
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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 C28H30ClN3O4S MW 540.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O4S/c1-6-35-22-10-8-7-9-21(22)32-23(33)16-37-26-20(15-30)25(18-11-13-19(29)14-12-18)24(17(2)31-26)27(34)36-28(3,4)5/h7-14,25,31H,6,16H2,1-5H3,(H,32,33)InChIKey
HHAWKNQQARSUJH-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C#N
InChI=1SC28H30ClN3O4Sc1635221087921(22)3223(33)16372620(1530)25(18111319(29)141218)24(17(2)3126)27(34)3628(34)5h7142531H616H215H3(H3233)
MFCD18172050
tertbutyl4(4chlorophenyl)5cyano6((2((2ethoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
tertbutyl4(4chlorophenyl)5cyano6(2(2ethoxyanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
ZINC000102753516
ZINC000102753517
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