Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL134972
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)CC(=O)Nc1cccc(c1)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/c1-3-11-32-28(36)22-9-8-19(27(35)30-15-18-7-10-24-25(12-18)40-17-39-24)13-23(22)33(29(32)37)16-26(34)31-20-5-4-6-21(14-20)38-2/h3-10,12-14H,1,11,15-17H2,2H3,(H,30,35)(H,31,34)InChIKey
AONRGDSEJCXDRO-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N(C2=O)CC=C
InChI=1SC29H26N4O7c13113228(36)229819(27(35)3015187102425(1218)40173924)1323(22)33(29(32)37)1626(34)312054621(1420)382h3101214H1111517H22H3(H3035)(H3134)
MFCD14761485
N(13benzodioxol5ylmethyl)1(2((3methoxyphenyl)amino)2oxoethyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
N(13benzodioxol5ylmethyl)1(2(3methoxyanilino)2oxoethyl)24dioxo3prop2enylquinazoline7carboxamide
ZINC000101432494
ZINC101432494
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