Vitas-M small molecule compound
2-methoxyethyl 6-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886056
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCCCC(=O)c1ccc(cc1)C(C)(C)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 C31H35ClN2O4S MW 567.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35ClN2O4S/c1-20-27(30(36)38-17-16-37-5)28(23-9-6-7-10-25(23)32)24(19-33)29(34-20)39-18-8-11-26(35)21-12-14-22(15-13-21)31(2,3)4/h6-7,9-10,12-15,28,34H,8,11,16-18H2,1-5H3InChIKey
CENITZBTBPNKRK-UHFFFAOYSA-NSynonyms
2methoxyethyl6((4(4tertbutylphenyl)4oxobutyl)sulfanyl)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
2methoxyethyl6(4(4tertbutylphenyl)4oxobutyl)sulfanyl4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCCCC(=O)C2=CC=C(C=C2)C(C)(C)C)C#N)C3=CC=CC=C3Cl)C(=O)OCCOC
InChI=1SC31H35ClN2O4Sc12027(30(36)381716375)28(239671025(23)32)24(1933)29(3420)391881126(35)21121422(151321)31(23)4h6791012152834H8111618H215H3
MFCD10086611
ZINC000102808166
ZINC000102808167
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