Vitas-M small molecule compound
9'-bromo-2'-(3,4-dimethoxyphenyl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK543368
SMILES COc1cc(ccc1OC)C1=NN2C(C1)c1cc(Br)ccc1OC12CCC(CC1)c1ccccc1
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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 C29H29BrN2O3 MW 533.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O3/c1-33-27-10-8-21(16-28(27)34-2)24-18-25-23-17-22(30)9-11-26(23)35-29(32(25)31-24)14-12-20(13-15-29)19-6-4-3-5-7-19/h3-11,16-17,20,25H,12-15,18H2,1-2H3InChIKey
SAMAPIFGAPTHNU-UHFFFAOYSA-NSynonyms
956625-92-6956625926
9bromo2(34dimethoxyphenyl)4phenyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine51cyclohexane)
9bromo2(34dimethoxyphenyl)4phenyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
9BROMO2(34DIMETHOXYPHENYL)4PHENYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOHEXANE)
COC1=C(C=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35CCC(CC5)C6=CC=CC=C6)OC
InChI=1SC29H29BrN2O3c1332710821(1628(27)342)241825231722(30)91126(23)3529(32(25)3124)141220(131529)196435719h31116172025H121518H212H3
MFCD03287716
ZINC000097951441
ZINC000097951442
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