Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-5-(2-chloro-5-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL048022
SMILES Clc1ccc(cc1C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCO2)[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 C23H16ClN3O5 MW 449.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O5/c24-17-7-6-14(27(28)29)10-16(17)23-26-19(15-3-1-2-4-20(15)32-23)11-18(25-26)13-5-8-21-22(9-13)31-12-30-21/h1-10,19,23H,11-12H2InChIKey
KRRGBRVVMFNRFU-UHFFFAOYSA-NSynonyms
713093-67-52(13benzodioxol5yl)5(2chloro5nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
2(13BENZODIOXOL5YL)5(2CHLORO5NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
2(benzo(d)(13)dioxol5yl)5(2chloro5nitrophenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
713093675
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=C(C=C4)OCO5)C6=C(C=CC(=C6)(N+)(=O)(O))Cl
Clc1ccc(cc1C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC23H16ClN3O5c24177614(27(28)29)1016(17)232619(15312420(15)3223)1118(2526)13582122(913)31123021h1101923H1112H2
MFCD04179951
ZINC000009158664
ZINC000013776597
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