Vitas-M small molecule compound

tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK725951
SMILES COC(=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 C21H23ClN2O4S MW 434.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O4S/c1-12-17(20(26)28-21(2,3)4)18(13-6-8-14(22)9-7-13)15(10-23)19(24-12)29-11-16(25)27-5/h6-9,18,24H,11H2,1-5H3
InChIKey
ZPAZOHVYTVCLAG-UHFFFAOYSA-N
Synonyms
337499-36-2
337499362
CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C
InChI=1SC21H23ClN2O4Sc11217(20(26)2821(23)4)18(136814(22)9713)15(1023)19(2412)291116(25)275h691824H11H215H3
METHYL2(5((TERTBUTYL)OXYCARBONYL)4(4CHLOROPHENYL)3CYANO6METHYL214DIHYDROPYRIDYLTHIO)ACETATE
MFCD02047731
TERTBUTYL4(4CHLOROPHENYL)5CYANO6((2METHOXY2OXOETHYL)SULFANYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL4(4CHLOROPHENYL)5CYANO6((2METHOXY2OXOETHYL)THIO)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
TERTBUTYL4(4CHLOROPHENYL)5CYANO6(2METHOXY2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000000859085
ZINC000000859088

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.