Vitas-M small molecule compound
2'-(1,3-benzodioxol-5-yl)-7'-methoxy-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK554483
SMILES COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccc2c(c1)OCO2
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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 C29H28N2O4 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O4/c1-32-26-9-5-8-22-24-17-23(21-10-11-25-27(16-21)34-18-33-25)30-31(24)29(35-28(22)26)14-12-20(13-15-29)19-6-3-2-4-7-19/h2-11,16,20,24H,12-15,17-18H2,1H3InChIKey
BFWMLGUAZBDPRC-UHFFFAOYSA-NSynonyms
1023000-50-11023000501
2(13benzodioxol5yl)7methoxy4phenyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
2(13BENZODIOXOL5YL)7METHOXY4PHENYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOHEXANE)
2(benzo(d)(13)dioxol5yl)7methoxy4phenyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine51cyclohexane)
COC1=CC=CC2=C1OC3(CCC(CC3)C4=CC=CC=C4)N5C2CC(=N5)C6=CC7=C(C=C6)OCO7
InChI=1SC29H28N2O4c1322695822241723(2110112527(1621)34183325)3031(24)29(3528(22)26)141220(131529)196324719h211162024H12151718H21H3
MFCD04005803
ZINC000009462624
ZINC000009462627
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