Vitas-M small molecule compound
2'-[4-(phenylsulfanyl)phenyl]-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK553661
SMILES CCCN1CCC2(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 C29H31N3OS MW 469.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3OS/c1-2-18-31-19-16-29(17-20-31)32-27(25-10-6-7-11-28(25)33-29)21-26(30-32)22-12-14-24(15-13-22)34-23-8-4-3-5-9-23/h3-15,27H,2,16-21H2,1H3InChIKey
DUQNKOUEVOZOCF-UHFFFAOYSA-NSynonyms
840462-62-62(4(phenylsulfanyl)phenyl)1propyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
2(4(phenylthio)phenyl)1propyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
2(4PHENYLSULFANYLPHENYL)1PROPYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
840462626
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)SC5=CC=CC=C5)C6=CC=CC=C6O2
InChI=1SC29H31N3OSc121831191629(172031)3227(2510671128(25)3329)2126(3032)22121424(151322)34238435923h31527H21621H21H3
MFCD04004562
ZINC000008767457
ZINC000008767460
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