Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK622035
SMILES O=C1N(c2ccc3c(c2)OCO3)C(Nc2c1cccc2)c1ccc(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 C21H15N3O5 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5/c25-21-16-3-1-2-4-17(16)22-20(13-5-7-14(8-6-13)24(26)27)23(21)15-9-10-18-19(11-15)29-12-28-18/h1-11,20,22H,12H2InChIKey
BZGWLEJEYHFBJR-UHFFFAOYSA-NSynonyms
929840-74-43(13benzodioxol5yl)2(4nitrophenyl)12dihydroquinazolin4one
3(13benzodioxol5yl)2(4nitrophenyl)23dihydroquinazolin4(1H)one
3(benzo(d)(13)dioxol5yl)2(4nitrophenyl)23dihydroquinazolin4(1H)one
929840744
C1OC2=C(O1)C=C(C=C2)N3C(NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H15N3O5c252116312417(16)2220(135714(8613)24(26)27)23(21)159101819(1115)29122818h1112022H12H2
MFCD09793629
O=C1N(c2ccc3c(c2)OCO3)C(Nc2c1cccc2)c1ccc(cc1)(N+)(=O)(O)
ZINC000007889575
ZINC000007889576
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