Vitas-M small molecule compound
9-bromo-2-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL191961
SMILES COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(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 C24H20BrN3O5 MW 510.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN3O5/c1-31-22-9-5-15(11-23(22)32-2)19-13-20-18-12-16(25)6-10-21(18)33-24(27(20)26-19)14-3-7-17(8-4-14)28(29)30/h3-12,20,24H,13H2,1-2H3InChIKey
OVODMNZEXGRHSF-UHFFFAOYSA-NSynonyms
9bromo2(34dimethoxyphenyl)5(4nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
9BROMO2(34DIMETHOXYPHENYL)5(4NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
COC1=C(C=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)(N+)(=O)(O))OC
COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H20BrN3O5c131229515(1123(22)322)191320181216(25)61021(18)3324(27(20)2619)143717(8414)28(29)30h3122024H13H212H3
MFCD02676219
ZINC000025579132
ZINC000248137585
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