Vitas-M small molecule compound

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

Catalog ID
STK098097
SMILES O=C1NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2C)/C(=O)N1Cc1ccccc1

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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 C28H23N3O3 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3/c1-19-9-5-6-12-21(19)17-30-18-22(23-13-7-8-14-25(23)30)15-24-26(32)29-28(34)31(27(24)33)16-20-10-3-2-4-11-20/h2-15,18H,16-17H2,1H3,(H,29,32,34)/b24-15-
InChIKey
BDWHTHHOKYGGIU-IWIPYMOSSA-N
Synonyms

(5Z)1benzyl5((1((2methylphenyl)methyl)indol3yl)methylidene)13diazinane246trione
(5Z)1BENZYL5((1(2METHYLBENZYL)1HINDOL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)N(C4=O)CC5=CC=CC=C5
InChI=1SC28H23N3O3c1199561221(19)17301822(2313781425(23)30)152426(32)2928(34)31(27(24)33)1620103241120h21518H1617H21H3(H293234)b2415
MFCD05976285
O=C1NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2C)C(=O)N1Cc1ccccc1
STK098097
ZINC000009730819
ZINC09730819
ZINC9730819

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Available files

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