Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL134979
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)CC(=O)Nc1cc(Cl)ccc1OC)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 C29H25ClN4O7 MW 576.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O7/c1-3-10-33-28(37)20-7-5-18(27(36)31-14-17-4-8-24-25(11-17)41-16-40-24)12-22(20)34(29(33)38)15-26(35)32-21-13-19(30)6-9-23(21)39-2/h3-9,11-13H,1,10,14-16H2,2H3,(H,31,36)(H,32,35)InChIKey
LIYNETAUKROHPH-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)Cl)NC(=O)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N(C2=O)CC=C
InChI=1SC29H25ClN4O7c13103328(37)207518(27(36)311417482425(1117)41164024)1222(20)34(29(33)38)1526(35)32211319(30)6923(21)392h391113H1101416H22H3(H3136)(H3235)
MFCD20754144
N(13benzodioxol5ylmethyl)1(2((5chloro2methoxyphenyl)amino)2oxoethyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
N(13benzodioxol5ylmethyl)1(2(5chloro2methoxyanilino)2oxoethyl)24dioxo3prop2enylquinazoline7carboxamide
ZINC000102922522
ZINC102922522
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