Vitas-M small molecule compound
(5Z)-1-(1,3-benzodioxol-5-yl)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170845
SMILES Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C24H18ClN3O5 MW 463.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O5/c1-13-9-15(14(2)27(13)17-5-3-16(25)4-6-17)10-19-22(29)26-24(31)28(23(19)30)18-7-8-20-21(11-18)33-12-32-20/h3-11H,12H2,1-2H3,(H,26,29,31)/b19-10-InChIKey
YRDHWORDQMTGHU-GRSHGNNSSA-NSynonyms
(5Z)1(13BENZODIOXOL5YL)5((1(4CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(13benzodioxol5yl)5((1(4chlorophenyl)25dimethylpyrrol3yl)methylidene)13diazinane246trione
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
Clc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC24H18ClN3O5c113915(14(2)27(13)175316(25)4617)101922(29)2624(31)28(23(19)30)18782021(1118)33123220h311H12H212H3(H262931)b1910
MFCD06663473
ZINC000014010773
ZINC14010773
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