Vitas-M small molecule compound

9'-bromo-2'-(4-methoxyphenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

Catalog ID
STK544334
SMILES COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCOC(C1)(C)C

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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 C23H25BrN2O3 MW 457.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN2O3/c1-22(2)14-23(10-11-28-22)26-20(18-12-16(24)6-9-21(18)29-23)13-19(25-26)15-4-7-17(27-3)8-5-15/h4-9,12,20H,10-11,13-14H2,1-3H3
InChIKey
HPYNXNDLAQDAFI-UHFFFAOYSA-N
Synonyms
499119-31-2
499119312
9bromo2(4methoxyphenyl)22dimethyl1235610bhexahydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54pyran)
9bromo2(4methoxyphenyl)22dimethyl1235610bhexahydrospiro(pyran45pyrazolo(15c)(13)benzoxazine)
9BROMO2(4METHOXYPHENYL)22DIMETHYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54OXANE)
CC1(CC2(CCO1)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Br)C
InChI=1SC23H25BrN2O3c122(2)1423(10112822)2620(181216(24)6921(18)2923)1319(2526)154717(273)8515h491220H10111314H213H3
MFCD03302675
ZINC000009071602
ZINC000102700396

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Available files

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