Vitas-M small molecule compound

2-(4-chlorophenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-9-nitro-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK541028
SMILES C=CCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)Cl)[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 C26H22ClN3O5 MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O5/c1-3-12-34-24-10-6-17(13-25(24)33-2)26-29-22(15-21(28-29)16-4-7-18(27)8-5-16)20-14-19(30(31)32)9-11-23(20)35-26/h3-11,13-14,22,26H,1,12,15H2,2H3
InChIKey
HQKBKJQTFVKDDV-UHFFFAOYSA-N
Synonyms
384376-12-9
2(4chlorophenyl)5(3methoxy4(prop2en1yloxy)phenyl)9nitro110bdihydropyrazolo(15c)(13)benzoxazine
2(4CHLOROPHENYL)5(3METHOXY4PROP2ENOXYPHENYL)9NITRO510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
384376129
5(4(allyloxy)3methoxyphenyl)2(4chlorophenyl)9nitro510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
C=CCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)Cl)(N+)(=O)(O)
COC1=C(C=CC(=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=C(O2)C=CC(=C5)(N+)(=O)(O))OCC=C
InChI=1SC26H22ClN3O5c1312342410617(1325(24)332)262922(1521(2829)164718(27)8516)201419(30(31)32)91123(20)3526h31113142226H11215H22H3
MFCD03285046
ZINC000009216315
ZINC000013552147

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Available files

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