Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL134982
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)CC(=O)Nc1ccc(cc1)OC)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 C29H26N4O7 MW 542.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O7/c1-3-12-32-28(36)22-10-5-19(27(35)30-15-18-4-11-24-25(13-18)40-17-39-24)14-23(22)33(29(32)37)16-26(34)31-20-6-8-21(38-2)9-7-20/h3-11,13-14H,1,12,15-17H2,2H3,(H,30,35)(H,31,34)InChIKey
DJVCYLDSJACEBM-UHFFFAOYSA-NSynonyms
893786-19-1893786191
COC1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N(C2=O)CC=C
InChI=1SC29H26N4O7c13123228(36)2210519(27(35)3015184112425(1318)40173924)1423(22)33(29(32)37)1626(34)31206821(382)9720h3111314H1121517H22H3(H3035)(H3134)
MFCD08568882
N(13benzodioxol5ylmethyl)1(2((4methoxyphenyl)amino)2oxoethyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
N(13benzodioxol5ylmethyl)1(2(4methoxyanilino)2oxoethyl)24dioxo3prop2enylquinazoline7carboxamide
ZINC000097999301
ZINC97999301
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