Vitas-M small molecule compound

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

Catalog ID
STK525235
SMILES O=C1NC(=O)/C(=C/c2c[nH]c3c2cccc3)/C(=O)N1c1cccc(c1)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 C20H12F3N3O3 MW 399.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12F3N3O3/c21-20(22,23)12-4-3-5-13(9-12)26-18(28)15(17(27)25-19(26)29)8-11-10-24-16-7-2-1-6-14(11)16/h1-10,24H,(H,25,27,29)/b15-8-
InChIKey
JCJTYKIOKLGLCK-NVNXTCNLSA-N
Synonyms

(5Z)5(1HINDOL3YLMETHYLIDENE)1(3(TRIFLUOROMETHYL)PHENYL)13DIAZINANE246TRIONE
(5Z)5(1Hindol3ylmethylidene)1(3(trifluoromethyl)phenyl)pyrimidine246(1H3H5H)trione
(Z)5((1Hindol3yl)methylene)1(3(trifluoromethyl)phenyl)pyrimidine246(1H3H5H)trione
C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC20H12F3N3O3c2120(2223)1243513(912)2618(28)15(17(27)2519(26)29)811102416721614(11)16h11024H(H252729)b158
MFCD01085748
O=C1NC(=O)C(=Cc2c(nH)c3c2cccc3)C(=O)N1c1cccc(c1)C(F)(F)F
ZINC000016956547
ZINC16956547

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.