Vitas-M small molecule compound

prop-2-en-1-yl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK541984
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)OC

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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 C21H22N2O6S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6S/c1-5-8-29-21(26)18-12(2)23-20(30-11-17(25)28-4)14(10-22)19(18)13-6-7-15(24)16(9-13)27-3/h5-7,9,19,23-24H,1,8,11H2,2-4H3
InChIKey
ADELYZAWBRMVMU-UHFFFAOYSA-N
Synonyms
497941-39-6
497941396
allyl5cyano4(4hydroxy3methoxyphenyl)6((2methoxy2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC(=C(C=C2)O)OC)C(=O)OCC=C
InChI=1SC21H22N2O6Sc1582921(26)1812(2)2320(301117(25)284)14(1022)19(18)136715(24)16(913)273h579192324H1811H224H3
MFCD03301289
prop2en1yl5cyano4(4hydroxy3methoxyphenyl)6((2methoxy2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(4HYDROXY3METHOXYPHENYL)6(2METHOXY2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020102460
ZINC000020102461

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Available files

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