Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL124834
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)CC(=O)Nc1ccc(cc1)C)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 C29H26N4O6 MW 526.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O6/c1-3-12-32-28(36)22-10-7-20(27(35)30-15-19-6-11-24-25(13-19)39-17-38-24)14-23(22)33(29(32)37)16-26(34)31-21-8-4-18(2)5-9-21/h3-11,13-14H,1,12,15-17H2,2H3,(H,30,35)(H,31,34)InChIKey
NCXXJGGDKRQDIP-UHFFFAOYSA-NSynonyms
CC1=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=1SC29H26N4O6c13123228(36)2210720(27(35)3015196112425(1319)39173824)1423(22)33(29(32)37)1626(34)31218418(2)5921h3111314H1121517H22H3(H3035)(H3134)
MFCD05717816
N(13benzodioxol5ylmethyl)1(2((4methylphenyl)amino)2oxoethyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
N(13BENZODIOXOL5YLMETHYL)1(2(4METHYLANILINO)2OXOETHYL)24DIOXO3PROP2ENYLQUINAZOLINE7CARBOXAMIDE
ZINC000002688222
ZINC2688222
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