Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK543955
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1cc(Cl)ccc1C
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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 C27H26ClN3O5S MW 540.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O5S/c1-5-10-36-27(34)24-16(3)30-26(37-14-23(33)31-20-12-18(28)8-6-15(20)2)19(13-29)25(24)17-7-9-21(32)22(11-17)35-4/h5-9,11-12,25,30,32H,1,10,14H2,2-4H3,(H,31,33)InChIKey
JJMYGQBLPOHXGV-UHFFFAOYSA-NSynonyms
442556-46-9442556469
ALLYL6((2((5CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)THIO)5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)O)OC)C#N
InChI=1SC27H26ClN3O5Sc15103627(34)2416(3)3026(371423(33)31201218(28)8615(20)2)19(1329)25(24)177921(32)22(1117)354h591112253032H11014H224H3(H3133)
MFCD03298968
prop2en1yl6((2((5chloro2methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(4hydroxy3methoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(5CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097951640
ZINC000097951641
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