Vitas-M small molecule compound

(5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK169449
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2ccccc2C(F)(F)F)C)/C1=O

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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 C25H20F3N3O4 MW 483.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F3N3O4/c1-14-12-16(15(2)30(14)21-7-5-4-6-20(21)25(26,27)28)13-19-22(32)29-24(34)31(23(19)33)17-8-10-18(35-3)11-9-17/h4-13H,1-3H3,(H,29,32,34)/b19-13+
InChIKey
GLOAUWQWFDMUQZ-CPNJWEJPSA-N
Synonyms

(5E)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
(5E)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccccc2C(F)(F)F)C)C1=O
InChI=1SC25H20F3N3O4c1141216(15(2)30(14)21754620(21)25(2627)28)131922(32)2924(34)31(23(19)33)1781018(353)11917h413H13H3(H293234)b1913+
MFCD03706959
ZINC000001152972
ZINC01152972
ZINC1152972

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Available files

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