Vitas-M small molecule compound
(5Z)-1-(4-fluorobenzyl)-5-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK837037
SMILES Fc1ccc(cc1)CN1C(=O)NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])/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 C20H14FN3O5 MW 395.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14FN3O5/c21-15-10-8-13(9-11-15)12-23-19(26)16(18(25)22-20(23)27)6-3-5-14-4-1-2-7-17(14)24(28)29/h1-11H,12H2,(H,22,25,27)/b5-3+,16-6-InChIKey
LOQZCFPUBMWEFZ-QCWVPXHQSA-NSynonyms
373369-19-8(5Z)1((4FLUOROPHENYL)METHYL)5((E)3(2NITROPHENYL)PROP2ENYLIDENE)13DIAZINANE246TRIONE
(5Z)1(4fluorobenzyl)5((2E)3(2nitrophenyl)prop2en1ylidene)pyrimidine246(1H3H5H)trione
(Z)1(4fluorobenzyl)5((E)3(2nitrophenyl)allylidene)pyrimidine246(1H3H5H)trione
373369198
C1=CC=C(C(=C1)C=CC=C2C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F)(N+)(=O)(O)
Fc1ccc(cc1)CN1C(=O)NC(=O)C(=CC=Cc2ccccc2(N+)(=O)(O))C1=O
InChI=1SC20H14FN3O5c211510813(91115)122319(26)16(18(25)2220(23)27)63514412717(14)24(28)29h111H12H2(H222527)b53+166
MFCD01946601
ZINC000013773522
ZINC13773522
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