Vitas-M small molecule compound
9-bromo-5-(4-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL021151
SMILES Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)[N+](=O)[O-])c1cccs1
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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 C20H14BrN3O3S MW 456.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O3S/c21-13-5-8-18-15(10-13)17-11-16(19-2-1-9-28-19)22-23(17)20(27-18)12-3-6-14(7-4-12)24(25)26/h1-10,17,20H,11H2InChIKey
IWOLFXCPYWYLEW-UHFFFAOYSA-NSynonyms
2(2BROMO6(4NITROPHENYL)6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN9YL)THIOPHENE
9bromo5(4nitrophenyl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
9BROMO5(4NITROPHENYL)2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)(N+)(=O)(O))c1cccs1
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC=CS4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC20H14BrN3O3Sc2113581815(1013)171116(192192819)2223(17)20(2718)123614(7412)24(25)26h1101720H11H2
MFCD01542796
ZINC000012194391
ZINC000100708085
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