Vitas-M small molecule compound
2'-[4-(phenylsulfanyl)phenyl]-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK544884
SMILES CC(N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Sc1ccccc1)C
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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 C29H31N3OS MW 469.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3OS/c1-21(2)31-18-16-29(17-19-31)32-27(25-10-6-7-11-28(25)33-29)20-26(30-32)22-12-14-24(15-13-22)34-23-8-4-3-5-9-23/h3-15,21,27H,16-20H2,1-2H3InChIKey
LPSXHJJKFPWBMV-UHFFFAOYSA-NSynonyms
487036-75-91isopropyl2(4(phenylthio)phenyl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
2(4(phenylsulfanyl)phenyl)1(propan2yl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
2(4PHENYLSULFANYLPHENYL)1PROPAN2YLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
487036759
CC(C)N1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)SC5=CC=CC=C5)C6=CC=CC=C6O2
InChI=1SC29H31N3OSc121(2)31181629(171931)3227(2510671128(25)3329)2026(3032)22121424(151322)34238435923h3152127H1620H212H3
MFCD03287328
ZINC000009018926
ZINC000013553115
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