Vitas-M small molecule compound

(5Z)-5-(3-chloro-4,5-dimethoxybenzylidene)-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL484427
SMILES COc1c(Cl)cc(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1cc(ccc1Cl)C(F)(F)F

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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 C20H13Cl2F3N2O5 MW 489.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Cl2F3N2O5/c1-31-15-7-9(6-13(22)16(15)32-2)5-11-17(28)26-19(30)27(18(11)29)14-8-10(20(23,24)25)3-4-12(14)21/h3-8H,1-2H3,(H,26,28,30)/b11-5-
InChIKey
MSVIJNUANTYOAL-WZUFQYTHSA-N
Synonyms

(5Z)5((3CHLORO45DIMETHOXYPHENYL)METHYLIDENE)1(2CHLORO5(TRIFLUOROMETHYL)PHENYL)13DIAZINANE246TRIONE
(5Z)5(3chloro45dimethoxybenzylidene)1(2chloro5(trifluoromethyl)phenyl)pyrimidine246(1H3H5H)trione
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=C(C=CC(=C3)C(F)(F)F)Cl)Cl)OC
COc1c(Cl)cc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1cc(ccc1Cl)C(F)(F)F
InChI=1SC20H13Cl2F3N2O5c1311579(613(22)16(15)322)51117(28)2619(30)27(18(11)29)14810(20(2324)25)3412(14)21h38H12H3(H262830)b115
MFCD02637962
ZINC000015799897
ZINC15799897

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Available files

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