Vitas-M small molecule compound
4-[9-bromo-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl 4-bromobenzoate
Catalog ID
STK540496
SMILES CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(cc1)OC(=O)c1ccc(cc1)Br
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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 C31H24Br2N2O4 MW 648.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24Br2N2O4/c1-2-37-24-12-5-19(6-13-24)27-18-28-26-17-23(33)11-16-29(26)39-30(35(28)34-27)20-7-14-25(15-8-20)38-31(36)21-3-9-22(32)10-4-21/h3-17,28,30H,2,18H2,1H3InChIKey
RUSKHKWVJXIOJY-UHFFFAOYSA-NSynonyms
(4(9BROMO2(4ETHOXYPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENYL)4BROMOBENZOATE
4(2BROMO9(4ETHOXYPHENYL)6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL)PHENYL4BROMOBENZOATE
4(9bromo2(4ethoxyphenyl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)phenyl4bromobenzoate
4(9bromo2(4ethoxyphenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)phenyl4bromobenzoate
CCOC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Br
InChI=1SC31H24Br2N2O4c12372412519(61324)271828261723(33)111629(26)3930(35(28)3427)2071425(15820)3831(36)213922(32)10421h3172830H218H21H3
MFCD03006635
ZINC000097999773
ZINC000245241858
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