Vitas-M small molecule compound

(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(3,5-dimethylphenyl)-2-hydroxypyrimidine-4,6(1H,5H)-dione

Catalog ID
STL057096
SMILES Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/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 C29H27N3O3 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3/c1-19-13-20(2)15-24(14-19)32-28(34)25(27(33)30-29(32)35)17-22-10-11-26-23(16-22)9-6-12-31(26)18-21-7-4-3-5-8-21/h3-5,7-8,10-11,13-17H,6,9,12,18H2,1-2H3,(H,30,33,35)/b25-17+
InChIKey
MJOWZLLJJZIVDI-KOEQRZSOSA-N
Synonyms
578698-94-9
(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(35dimethylphenyl)2hydroxypyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(35DIMETHYLPHENYL)13DIAZINANE246TRIONE
578698949
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)O
InChI=1SC29H27N3O3c1191320(2)1524(1419)3228(34)25(27(33)3029(32)35)172210112623(1622)961231(26)18217435821h357810111317H691218H212H3(H303335)b2517+
MFCD18192835
ZINC000009012999
ZINC9012999

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Available files

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