Vitas-M small molecule compound
(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-3-(3-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL040689
SMILES Cc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C1=O)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 C27H22ClN3O3 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O3/c1-17-5-4-7-21(13-17)31-26(33)22(25(32)29-27(31)34)15-18-9-10-24-19(14-18)11-12-30(24)16-20-6-2-3-8-23(20)28/h2-10,13-15H,11-12,16H2,1H3,(H,29,32,34)/b22-15+InChIKey
MWGNEJVATLLGOL-PXLXIMEGSA-NSynonyms
714925-76-5(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(3METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)6hydroxy3(3methylphenyl)pyrimidine24(3H5H)dione
714925765
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=O
Cc1cccc(c1)N1C(=O)N=C(C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O)O
InChI=1SC27H22ClN3O3c11754721(1317)3126(33)22(25(32)2927(31)34)15189102419(1418)111230(24)1620623823(20)28h2101315H111216H21H3(H293234)b2215+
MFCD05733748
ZINC000009463794
ZINC9463794
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