Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-nitrobenzyl)-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL124839
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)Cc1cccc(c1)[N+](=O)[O-])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 C27H22N4O7 MW 514.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O7/c1-2-10-29-26(33)21-8-7-19(25(32)28-14-17-6-9-23-24(12-17)38-16-37-23)13-22(21)30(27(29)34)15-18-4-3-5-20(11-18)31(35)36/h2-9,11-13H,1,10,14-16H2,(H,28,32)InChIKey
XZVULDBWKPGTGD-UHFFFAOYSA-NSynonyms
C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N(C1=O)CC5=CC(=CC=C5)(N+)(=O)(O)
C=CCn1c(=O)c2ccc(cc2n(c1=O)Cc1cccc(c1)(N+)(=O)(O))C(=O)NCc1ccc2c(c1)OCO2
InChI=1SC27H22N4O7c12102926(33)218719(25(32)281417692324(1217)38163723)1322(21)30(27(29)34)151843520(1118)31(35)36h291113H1101416H2(H2832)
MFCD14761478
N(13benzodioxol5ylmethyl)1((3nitrophenyl)methyl)24dioxo3prop2enylquinazoline7carboxamide
N(13benzodioxol5ylmethyl)1(3nitrobenzyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
ZINC000020237128
ZINC20237128
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