Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL335216
SMILES CCOC(=O)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCC)c1cccs1
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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 C19H21N3O5S2 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S2/c1-4-26-18(24)15-11(3)21-17(29-10-14(23)22-19(25)27-5-2)12(9-20)16(15)13-7-6-8-28-13/h6-8,16,21H,4-5,10H2,1-3H3,(H,22,23,25)InChIKey
RTOWWZJKHJBGDY-UHFFFAOYSA-NSynonyms
497242-35-0497242350
CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC(=O)OCC)C
ethyl5cyano6((2((ethoxycarbonyl)amino)2oxoethyl)sulfanyl)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
ethyl5cyano6((2((ethoxycarbonyl)amino)2oxoethyl)thio)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
ETHYL5CYANO6(2(ETHOXYCARBONYLAMINO)2OXOETHYL)SULFANYL2METHYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC19H21N3O5S2c142618(24)1511(3)2117(291014(23)2219(25)2752)12(920)16(15)137682813h681621H4510H213H3(H222325)
MFCD03300165
ZINC000020101508
ZINC000020101511
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