Vitas-M small molecule compound
ethyl 2-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL374149
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)C
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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 C23H25N3O5S MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5S/c1-5-31-22(29)18-15-8-6-7-9-17(15)32-21(18)26-12(2)10-14(13(26)3)11-16-19(27)24-23(30)25(4)20(16)28/h10-11H,5-9H2,1-4H3,(H,24,27,30)/b16-11+InChIKey
OPNMUCMNGIQRPP-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=O)N(C4=O)C)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C
ethyl2(25dimethyl3((E)(1methyl246trioxo13diazinan5ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(25dimethyl3((E)(1methyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H25N3O5Sc153122(29)1815867917(15)3221(18)2612(2)1014(13(26)3)111619(27)2423(30)25(4)20(16)28h1011H59H214H3(H242730)b1611+
MFCD02044993
ZINC000002063971
ZINC2063971
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