Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-{[2,5-dimethyl-1-(propan-2-yl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK104550
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1cc(n(c1C)C(C)C)C)c1cccc(c1Cl)Cl
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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 C20H19Cl2N3O3 MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N3O3/c1-10(2)24-11(3)8-13(12(24)4)9-14-18(26)23-20(28)25(19(14)27)16-7-5-6-15(21)17(16)22/h5-10H,1-4H3,(H,23,26,28)/b14-9+InChIKey
VUQKVESYGRULNK-NTEUORMPSA-NSynonyms
(5E)1(23DICHLOROPHENYL)5((25DIMETHYL1(PROPAN2YL)1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(23DICHLOROPHENYL)5((25DIMETHYL1PROPAN2YLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC(=C(N1C(C)C)C)C=C2C(=O)NC(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl
InChI=1SC20H19Cl2N3O3c110(2)2411(3)813(12(24)4)91418(26)2320(28)25(19(14)27)1675615(21)17(16)22h510H14H3(H232628)b149+
MFCD04126632
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)C(C)C)C)c1cccc(c1Cl)Cl
ZINC000012464552
ZINC12464552
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