Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL134978
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)CC(=O)Nc1ccc(cc1F)Br)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 C28H22BrFN4O6 MW 609.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrFN4O6/c1-2-9-33-27(37)19-6-4-17(26(36)31-13-16-3-8-23-24(10-16)40-15-39-23)11-22(19)34(28(33)38)14-25(35)32-21-7-5-18(29)12-20(21)30/h2-8,10-12H,1,9,13-15H2,(H,31,36)(H,32,35)InChIKey
YKAMGRSFRJQRTK-UHFFFAOYSA-NSynonyms
893787-15-0893787150
C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N(C1=O)CC(=O)NC5=C(C=C(C=C5)Br)F
InChI=1SC28H22BrFN4O6c1293327(37)196417(26(36)311316382324(1016)40153923)1122(19)34(28(33)38)1425(35)32217518(29)1220(21)30h281012H191315H2(H3136)(H3235)
MFCD08568909
N(13benzodioxol5ylmethyl)1(2((4bromo2fluorophenyl)amino)2oxoethyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
N(13benzodioxol5ylmethyl)1(2(4bromo2fluoroanilino)2oxoethyl)24dioxo3prop2enylquinazoline7carboxamide
ZINC000097999306
ZINC97999306
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