Vitas-M small molecule compound
2-methoxy-4-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1',10b'-dihydrospiro[piperidinium-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl]phenolate
Catalog ID
STK569889
SMILES COc1cc(ccc1[O-])C1=NN2C(C1)c1ccccc1OC12CC[NH+](CC1)C1CCCc2c1cccc2
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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 C31H33N3O3 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O3/c1-36-30-19-22(13-14-28(30)35)25-20-27-24-10-4-5-12-29(24)37-31(34(27)32-25)15-17-33(18-16-31)26-11-6-8-21-7-2-3-9-23(21)26/h2-5,7,9-10,12-14,19,26-27,35H,6,8,11,15-18,20H2,1H3InChIKey
DKFADJYGARCBKX-UHFFFAOYSA-NSynonyms
877800-13-02methoxy4(1(1234tetrahydronaphthalen1yl)110bdihydrospiro(piperidinium45pyrazolo(15c)(13)benzoxazin)2yl)phenolate
2methoxy4(1(1234tetrahydronaphthalen1yl)spiro(110bdihydropyrazolo(15c)(13)benzoxazine54piperidin1ium)2yl)phenolate
877800130
COC1=C(C=CC(=C1)C2=NN3C(C2)C4=CC=CC=C4OC35CC(NH+)(CC5)C6CCCC7=CC=CC=C67)(O)
COc1cc(ccc1(O))C1=NN2C(C1)c1ccccc1OC12CC(NH+)(CC1)C1CCCc2c1cccc2
InChI=1SC31H33N3O3c136301922(131428(30)35)2520272410451229(24)3731(34(27)3225)151733(181631)26116821723923(21)26h257910121419262735H6811151820H21H3
MFCD05703875
ZINC000009328635
ZINC000227031265
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