Vitas-M small molecule compound

5-(4-butoxy-3-methoxyphenyl)-7,9-dichloro-2-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK540818
SMILES CCCCOc1ccc(cc1OC)C1Oc2c(Cl)cc(cc2C2N1N=C(C2)c1ccc(c(c1)OC)OC)Cl

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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 C29H30Cl2N2O5 MW 557.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30Cl2N2O5/c1-5-6-11-37-25-10-8-18(13-27(25)36-4)29-33-23(20-14-19(30)15-21(31)28(20)38-29)16-22(32-33)17-7-9-24(34-2)26(12-17)35-3/h7-10,12-15,23,29H,5-6,11,16H2,1-4H3
InChIKey
KCOBPBUVLVQFMO-UHFFFAOYSA-N
Synonyms

5(4butoxy3methoxyphenyl)79dichloro2(34dimethoxyphenyl)110bdihydropyrazolo(15c)(13)benzoxazine
5(4butoxy3methoxyphenyl)79dichloro2(34dimethoxyphenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
5(4BUTOXY3METHOXYPHENYL)79DICHLORO2(34DIMETHOXYPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
CCCCOC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC(=C(C=C4)OC)OC)C5=CC(=CC(=C5O2)Cl)Cl)OC
InChI=1SC29H30Cl2N2O5c15611372510818(1327(25)364)293323(201419(30)1521(31)28(20)3829)1622(3233)177924(342)26(1217)353h71012152329H561116H214H3
MFCD03285403
ZINC000102428337
ZINC000105790070

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Available files

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