Vitas-M small molecule compound
9'-bromo-2'-(5-bromothiophen-2-yl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK543340
SMILES Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccc(s1)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 C25H22Br2N2OS MW 558.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Br2N2OS/c26-18-6-7-22-19(14-18)21-15-20(23-8-9-24(27)31-23)28-29(21)25(30-22)12-10-17(11-13-25)16-4-2-1-3-5-16/h1-9,14,17,21H,10-13,15H2InChIKey
JNPFVTSYEJQFEV-UHFFFAOYSA-NSynonyms
9bromo2(5bromothiophen2yl)4phenyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine51cyclohexane)
9bromo2(5bromothiophen2yl)4phenyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
9BROMO2(5BROMOTHIOPHEN2YL)4PHENYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE51CYCLOHEXANE)
C1CC2(CCC1C3=CC=CC=C3)N4C(CC(=N4)C5=CC=C(S5)Br)C6=C(O2)C=CC(=C6)Br
InChI=1SC25H22Br2N2OSc2618672219(1418)211520(238924(27)3123)2829(21)25(3022)121017(111325)164213516h19141721H101315H2
MFCD03292349
ZINC000101091964
ZINC000101091966
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