Vitas-M small molecule compound

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

Catalog ID
STL055099
SMILES COc1cc(CCN2C(=O)N=C(/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)/C2=O)O)ccc1OC

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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 C31H31N3O5 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5/c1-38-27-13-11-21(19-28(27)39-2)14-16-34-30(36)25(29(35)32-31(34)37)18-23-10-12-26-24(17-23)9-6-15-33(26)20-22-7-4-3-5-8-22/h3-5,7-8,10-13,17-19H,6,9,14-16,20H2,1-2H3,(H,32,35,37)/b25-18+
InChIKey
MSZFFQVOACJUPL-XIEYBQDHSA-N
Synonyms
578002-02-5
(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)3(2(34dimethoxyphenyl)ethyl)6hydroxypyrimidine24(3H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(2(34DIMETHOXYPHENYL)ETHYL)13DIAZINANE246TRIONE
578002025
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=O)OC
COc1cc(CCN2C(=O)N=C(C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)O)ccc1OC
InChI=1SC31H31N3O5c13827131121(1928(27)392)14163430(36)25(29(35)3231(34)37)182310122624(1723)961533(26)20227435822h357810131719H69141620H212H3(H323537)b2518+
MFCD07207709
ZINC000009011911
ZINC09011911
ZINC9011911

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Available files

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