Vitas-M small molecule compound

(5Z)-1-(4-ethylphenyl)-5-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK549689
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2C)/C1=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 C31H29N3O4 MW 507.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O4/c1-3-22-13-15-24(16-14-22)34-30(36)26(29(35)32-31(34)37)19-23-20-33(27-11-6-5-10-25(23)27)17-8-18-38-28-12-7-4-9-21(28)2/h4-7,9-16,19-20H,3,8,17-18H2,1-2H3,(H,32,35,37)/b26-19-
InChIKey
OJVDBEHXVQMDLC-XHPQRKPJSA-N
Synonyms
799818-14-7
(5Z)1(4ethylphenyl)5((1(3(2methylphenoxy)propyl)1Hindol3yl)methylidene)pyrimidine246(1H3H5H)trione
(5Z)1(4ETHYLPHENYL)5((1(3(2METHYLPHENOXY)PROPYL)INDOL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(Z)1(4ethylphenyl)5((1(3(otolyloxy)propyl)1Hindol3yl)methylene)pyrimidine246(1H3H5H)trione
799818147
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CCCOC5=CC=CC=C5C)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cn(c3c2cccc3)CCCOc2ccccc2C)C1=O
InChI=1SC31H29N3O4c1322131524(161422)3430(36)26(29(35)3231(34)37)19232033(2711651025(23)27)1781838281274921(28)2h479161920H381718H212H3(H323537)b2619
MFCD03681481
ZINC000009428560
ZINC09428560
ZINC9428560

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.