Vitas-M small molecule compound

(5E)-5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STL048657
SMILES CCOc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/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 C28H24ClN3O4 MW 501.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O4/c1-2-36-22-10-8-21(9-11-22)32-27(34)23(26(33)30-28(32)35)16-18-7-12-25-19(15-18)13-14-31(25)17-20-5-3-4-6-24(20)29/h3-12,15-16H,2,13-14,17H2,1H3,(H,30,33,35)/b23-16+
InChIKey
KQQFOYDOARKIDI-XQNSMLJCSA-N
Synonyms
585555-91-5
(5E)5((1((2CHLOROPHENYL)METHYL)23DIHYDROINDOL5YL)METHYLIDENE)1(4ETHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5((1(2chlorobenzyl)23dihydro1Hindol5yl)methylidene)3(4ethoxyphenyl)6hydroxypyrimidine24(3H5H)dione
585555915
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CC4)CC5=CC=CC=C5Cl)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O)O
InChI=1SC28H24ClN3O4c12362210821(91122)3227(34)23(26(33)3028(32)35)16187122519(1518)131431(25)1720534624(20)29h3121516H2131417H21H3(H303335)b2316+
MFCD05733410
ZINC000002383596
ZINC2383596

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Available files

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