Vitas-M small molecule compound
ethyl 2-{2,5-dimethyl-3-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK175268
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=O)NC1=O
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-4-30-21(28)17-14-7-5-6-8-16(14)31-20(17)25-11(2)9-13(12(25)3)10-15-18(26)23-22(29)24-19(15)27/h9-10H,4-8H2,1-3H3,(H2,23,24,26,27,29)InChIKey
GSXNDIVWWUSWRK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=O)NC4=O)C
ethyl2(25dimethyl3((246trioxo13diazinan5ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(25dimethyl3((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H23N3O5Sc143021(28)1714756816(14)3120(17)2511(2)913(12(25)3)101518(26)2322(29)2419(15)27h910H48H213H3(H22324262729)
MFCD03711567
ZINC000001162114
ZINC1162114
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