Vitas-M small molecule compound
ethyl 4-(3-{(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STL372582
SMILES COCCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C(=O)OCC)C)/C1=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 C23H25N3O5S MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5S/c1-5-31-22(29)16-6-8-18(9-7-16)26-14(2)12-17(15(26)3)13-19-20(27)24-23(32)25(21(19)28)10-11-30-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,24,27,32)/b19-13+InChIKey
DGNIZBNPEMKAHZ-CPNJWEJPSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CCOC)C
COCCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)OCC)C)C1=O
ethyl4(3((E)(1(2methoxyethyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzoate
ethyl4(3((E)(1(2methoxyethyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
InChI=1SC23H25N3O5Sc153122(29)166818(9716)2614(2)1217(15(26)3)131920(27)2423(32)25(21(19)28)1011304h691213H51011H214H3(H242732)b1913+
MFCD03924873
ZINC000005948352
ZINC5948352
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