Vitas-M small molecule compound
propan-2-yl ({3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK885940
SMILES N#CC1=C(SCC(=O)OC(C)C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C
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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 C26H27N3O4S MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4S/c1-16(2)33-22(30)15-34-26-19(14-27)24(18-10-6-5-7-11-18)23(17(3)28-26)25(31)29-20-12-8-9-13-21(20)32-4/h5-13,16,24,28H,15H2,1-4H3,(H,29,31)InChIKey
KWXHTFTZGDXTRW-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)OC(C)C)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC
InChI=1SC26H27N3O4Sc116(2)3322(30)15342619(1427)24(18106571118)23(17(3)2826)25(31)292012891321(20)324h513162428H15H214H3(H2931)
MFCD10086499
propan2yl((3cyano5((2methoxyphenyl)carbamoyl)6methyl4phenyl14dihydropyridin2yl)sulfanyl)acetate
propan2yl2((3cyano5((2methoxyphenyl)carbamoyl)6methyl4phenyl14dihydropyridin2yl)sulfanyl)acetate
ZINC000012250296
ZINC000012250297
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