Vitas-M small molecule compound
2'-(5-bromothiophen-2-yl)-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK993331
SMILES Brc1ccc(s1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1
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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 C25H23BrN2OS MW 479.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2OS/c26-24-11-10-23(30-24)20-16-21-19-8-4-5-9-22(19)29-25(28(21)27-20)14-12-18(13-15-25)17-6-2-1-3-7-17/h1-11,18,21H,12-16H2InChIKey
XNCDSQTWWARRGS-UHFFFAOYSA-NSynonyms
2(5bromothiophen2yl)4phenyl110bdihydrospiro(cyclohexane15pyrazolo(15c)(13)benzoxazine)
2(5bromothiophen2yl)4phenylspiro(110bdihydropyrazolo(15c)(13)benzoxazine51cyclohexane)
C1CC2(CCC1C3=CC=CC=C3)N4C(CC(=N4)C5=CC=C(S5)Br)C6=CC=CC=C6O2
InChI=1SC25H23BrN2OSc2624111023(3024)20162119845922(19)2925(28(21)2720)141218(131525)176213717h1111821H1216H2
MFCD18184846
ZINC000051329948
ZINC000051329951
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