Vitas-M small molecule compound
(5E)-1-[4-(butan-2-yl)phenyl]-5-{[1-(2-methylbenzyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK005120
SMILES CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cccn2Cc2ccccc2C)/C1=O)C
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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 C27H27N3O3 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3/c1-4-18(2)20-11-13-22(14-12-20)30-26(32)24(25(31)28-27(30)33)16-23-10-7-15-29(23)17-21-9-6-5-8-19(21)3/h5-16,18H,4,17H2,1-3H3,(H,28,31,33)/b24-16+InChIKey
FMBIWAUAVADMIQ-LFVJCYFKSA-NSynonyms
(5E)1(4(BUTAN2YL)PHENYL)5((1(2METHYLBENZYL)1HPYRROL2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(4BUTAN2YLPHENYL)5((1((2METHYLPHENYL)METHYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
(Z)1(4(secbutyl)phenyl)5((1(2methylbenzyl)1Hpyrrol2yl)methylene)pyrimidine246(1H3H5H)trione
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3CC4=CC=CC=C4C)C(=O)NC2=O
CCC(c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cccn2Cc2ccccc2C)C1=O)C
InChI=1SC27H27N3O3c1418(2)20111322(141220)3026(32)24(25(31)2827(30)33)16231071529(23)1721965819(21)3h51618H417H213H3(H283133)b2416+
MFCD08049162
STK005120
ZINC000002220011
ZINC000002220015
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