Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-4-[1-(4-nitrobenzyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Catalog ID
STL145721
SMILES O=C(NCc1ccc2c(c1)OCO2)CCCn1c(=O)c2ccccc2n(c1=O)Cc1ccc(cc1)[N+](=O)[O-]
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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 C27H24N4O7 MW 516.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O7/c32-25(28-15-19-9-12-23-24(14-19)38-17-37-23)6-3-13-29-26(33)21-4-1-2-5-22(21)30(27(29)34)16-18-7-10-20(11-8-18)31(35)36/h1-2,4-5,7-12,14H,3,6,13,15-17H2,(H,28,32)InChIKey
FXTFBCWSHJMKDT-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC27H24N4O7c3225(2815199122324(1419)38173723)63132926(33)21412522(21)30(27(29)34)161871020(11818)31(35)36h124571214H36131517H2(H2832)
MFCD14737581
N(13benzodioxol5ylmethyl)4(1((4nitrophenyl)methyl)24dioxoquinazolin3yl)butanamide
N(13benzodioxol5ylmethyl)4(1(4nitrobenzyl)24dioxo14dihydroquinazolin3(2H)yl)butanamide
O=C(NCc1ccc2c(c1)OCO2)CCCn1c(=O)c2ccccc2n(c1=O)Cc1ccc(cc1)(N+)(=O)(O)
ZINC000020152745
ZINC20152745
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