Vitas-M small molecule compound

3-cyano-4-[4-(methoxycarbonyl)phenyl]-6-methyl-5-[(prop-2-en-1-yloxy)carbonyl]-1,4-dihydropyridine-2-thiolate

Catalog ID
STL581504
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)[S-]

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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 C19H17N2O4S MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4S/c1-4-9-25-19(23)15-11(2)21-17(26)14(10-20)16(15)12-5-7-13(8-6-12)18(22)24-3/h4-8,16,21,26H,1,9H2,2-3H3/p-1
InChIKey
XIOWSNNOBDJWLX-UHFFFAOYSA-M
Synonyms

3cyano4(4(methoxycarbonyl)phenyl)6methyl5((prop2en1yloxy)carbonyl)14dihydropyridine2thiolate
C1COCC(NH2+)1C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)(S)
InChI=1SC19H18N2O4Sc1492519(23)1511(2)2117(26)14(1020)16(15)125713(8612)18(22)243h48162126H19H223H3p1
morpholin4ium5((allyloxy)carbonyl)3cyano4(4(methoxycarbonyl)phenyl)6methyl14dihydropyridine2thiolate

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Available files

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