Vitas-M small molecule compound
ethyl 4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK000002
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-5-28-20(27)14-6-8-16(9-7-14)24-12(2)10-15(13(24)3)11-17-18(25)22-21(29)23(4)19(17)26/h6-11H,5H2,1-4H3,(H,22,25,29)/b17-11+InChIKey
RXDGXQPIUIANEV-GZTJUZNOSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)C
ETHYL4(25DIMETHYL3((1METHYL46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)BENZOATE
ETHYL4(25DIMETHYL3((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
ETHYL4(25DIMETHYL3((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
InChI=1SC21H21N3O4Sc152820(27)146816(9714)2412(2)1015(13(24)3)111718(25)2221(29)23(4)19(17)26h611H5H214H3(H222529)b1711+
MFCD03228571
STK000002
ZINC000000661111
ZINC00661111
ZINC661111
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.