Vitas-M small molecule compound
1,3-dibenzyl-2-(2-ethoxyphenyl)-6-nitro-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK169995
SMILES CCOc1ccccc1C1N(Cc2ccccc2)C(=O)c2c(N1Cc1ccccc1)ccc(c2)[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 C30H27N3O4 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O4/c1-2-37-28-16-10-9-15-25(28)29-31(20-22-11-5-3-6-12-22)27-18-17-24(33(35)36)19-26(27)30(34)32(29)21-23-13-7-4-8-14-23/h3-19,29H,2,20-21H2,1H3InChIKey
OHMUBFMYNMYPJM-UHFFFAOYSA-NSynonyms
13DIBENZYL2(2ETHOXYPHENYL)6NITRO23DIHYDROQUINAZOLIN4(1H)ONE
13DIBENZYL2(2ETHOXYPHENYL)6NITRO2HQUINAZOLIN4ONE
CCOC1=CC=CC=C1C2N(C3=C(C=C(C=C3)(N+)(=O)(O))C(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5
CCOc1ccccc1C1N(Cc2ccccc2)C(=O)c2c(N1Cc1ccccc1)ccc(c2)(N+)(=O)(O)
InChI=1SC30H27N3O4c123728161091525(28)2931(2022115361222)27181724(33(35)36)1926(27)30(34)32(29)2123137481423h31929H22021H21H3
MFCD03985812
ZINC000009847161
ZINC000009847162
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