Vitas-M small molecule compound
(5E)-3-(4-chlorophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK592940
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2ccc3c(c2)CCC3)/C)/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 C21H18ClN3O3 MW 395.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3/c1-12(23-16-8-5-13-3-2-4-14(13)11-16)18-19(26)24-21(28)25(20(18)27)17-9-6-15(22)7-10-17/h5-11,23H,2-4H2,1H3,(H,24,26,28)/b18-12+InChIKey
BQRKWBMBZKGBIQ-LDADJPATSA-NSynonyms
(5E)1(4CHLOROPHENYL)5(1(23DIHYDRO1HINDEN5YLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
(5E)3(4chlorophenyl)5(1(23dihydro1Hinden5ylamino)ethylidene)6hydroxypyrimidine24(3H5H)dione
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NC3=CC4=C(CCC4)C=C3
Clc1ccc(cc1)N1C(=O)N=C(C(=C(Nc2ccc3c(c2)CCC3)C)C1=O)O
InChI=1SC21H18ClN3O3c112(2316851332414(13)1116)1819(26)2421(28)25(20(18)27)179615(22)71017h51123H24H21H3(H242628)b1812+
MFCD07202872
ZINC000009111522
ZINC09111522
ZINC9111522
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