Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorobenzyl)-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

Catalog ID
STL124841
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)Cc1cccc(c1)Cl)C(=O)NCc1ccc2c(c1)OCO2

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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 C27H22ClN3O5 MW 503.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O5/c1-2-10-30-26(33)21-8-7-19(25(32)29-14-17-6-9-23-24(12-17)36-16-35-23)13-22(21)31(27(30)34)15-18-4-3-5-20(28)11-18/h2-9,11-13H,1,10,14-16H2,(H,29,32)
InChIKey
APUSEILJYHQMQW-UHFFFAOYSA-N
Synonyms

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N(C1=O)CC5=CC(=CC=C5)Cl
InChI=1SC27H22ClN3O5c12103026(33)218719(25(32)291417692324(1217)36163523)1322(21)31(27(30)34)151843520(28)1118h291113H1101416H2(H2932)
MFCD14761479
N(13benzodioxol5ylmethyl)1((3chlorophenyl)methyl)24dioxo3prop2enylquinazoline7carboxamide
N(13benzodioxol5ylmethyl)1(3chlorobenzyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
ZINC000009692713
ZINC9692713

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Available files

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