Vitas-M small molecule compound
1-ethyl-2'-[4-(phenylsulfanyl)phenyl]-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STK553618
SMILES CCN1CCC2(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 C28H29N3OS MW 455.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3OS/c1-2-30-18-16-28(17-19-30)31-26(24-10-6-7-11-27(24)32-28)20-25(29-31)21-12-14-23(15-13-21)33-22-8-4-3-5-9-22/h3-15,26H,2,16-20H2,1H3InChIKey
NTWLIQCRBOJYSY-UHFFFAOYSA-NSynonyms
840462-42-21ethyl2(4(phenylsulfanyl)phenyl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1ethyl2(4(phenylthio)phenyl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1ETHYL2(4PHENYLSULFANYLPHENYL)SPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
840462422
CCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)SC5=CC=CC=C5)C6=CC=CC=C6O2
InChI=1SC28H29N3OSc1230181628(171930)3126(2410671127(24)3228)2025(2931)21121423(151321)33228435922h31526H21620H21H3
MFCD04004506
ZINC000009461480
ZINC000009461481
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