Vitas-M small molecule compound
1,3-dibenzyl-2-(2-fluorophenyl)-6-nitro-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK100902
SMILES O=C1c2cc(ccc2N(C(N1Cc1ccccc1)c1ccccc1F)Cc1ccccc1)[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 C28H22FN3O3 MW 467.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN3O3/c29-25-14-8-7-13-23(25)27-30(18-20-9-3-1-4-10-20)26-16-15-22(32(34)35)17-24(26)28(33)31(27)19-21-11-5-2-6-12-21/h1-17,27H,18-19H2InChIKey
JUMWUIIJPQKXEK-UHFFFAOYSA-NSynonyms
13BISBENZYL2(2FLUOROPHENYL)6NITRO123TRIHYDROQUINAZOLIN4ONE
13DIBENZYL2(2FLUOROPHENYL)6NITRO23DIHYDROQUINAZOLIN4(1H)ONE
13DIBENZYL2(2FLUOROPHENYL)6NITRO2HQUINAZOLIN4ONE
C1=CC=C(C=C1)CN2C(N(C(=O)C3=C2C=CC(=C3)(N+)(=O)(O))CC4=CC=CC=C4)C5=CC=CC=C5F
InChI=1SC28H22FN3O3c292514871323(25)2730(182093141020)26161522(32(34)35)1724(26)28(33)31(27)1921115261221h11727H1819H2
MFCD04126581
O=C1c2cc(ccc2N(C(N1Cc1ccccc1)c1ccccc1F)Cc1ccccc1)(N+)(=O)(O)
ZINC000009762344
ZINC000009762345
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