Vitas-M small molecule compound
1-benzyl-2'-[4-(phenylsulfanyl)phenyl]-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL227126
SMILES c1ccc(cc1)CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Sc1ccccc1
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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 C33H31N3OS MW 517.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3OS/c1-3-9-25(10-4-1)24-35-21-19-33(20-22-35)36-31(29-13-7-8-14-32(29)37-33)23-30(34-36)26-15-17-28(18-16-26)38-27-11-5-2-6-12-27/h1-18,31H,19-24H2InChIKey
YVALUFAEOYAGQI-UHFFFAOYSA-NSynonyms
499211-76-61benzyl2(4(phenylsulfanyl)phenyl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1benzyl2(4(phenylthio)phenyl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1BENZYL2(4PHENYLSULFANYLPHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
499211766
C1CN(CCC12N3C(CC(=N3)C4=CC=C(C=C4)SC5=CC=CC=C5)C6=CC=CC=C6O2)CC7=CC=CC=C7
InChI=1SC33H31N3OSc13925(1041)2435211933(202235)3631(2913781432(29)3733)2330(3436)26151728(181626)3827115261227h11831H1924H2
MFCD03303876
ZINC000009358168
ZINC000009358175
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