Vitas-M small molecule compound
methyl 5-cyano-4-(2-ethoxyphenyl)-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827653
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccccc2CC)NC(=C1C(=O)OC)C)C#N
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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-5-18-11-7-9-13-21(18)30-23(31)16-35-26-20(15-28)25(24(17(3)29-26)27(32)33-4)19-12-8-10-14-22(19)34-6-2/h7-14,25,29H,5-6,16H2,1-4H3,(H,30,31)InChIKey
JUSUERYMYXMFCY-UHFFFAOYSA-NSynonyms
684238-14-0684238140
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3OCC)C#N
InChI=1SC27H29N3O4Sc151811791321(18)3023(31)16352620(1528)25(24(17(3)2926)27(32)334)19128101422(19)3462h7142529H5616H214H3(H3031)
methyl5cyano4(2ethoxyphenyl)6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
METHYL5CYANO4(2ETHOXYPHENYL)6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03981692
ZINC000020348652
ZINC000020348654
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