Vitas-M small molecule compound

1-benzyl-2'-(4-methoxyphenyl)-9'-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

Catalog ID
STK993455
SMILES COc1ccc(cc1)C1=NN2C(C1)c1cc(C)ccc1OC12CCN(CC1)Cc1ccccc1

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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 C29H31N3O2 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2/c1-21-8-13-28-25(18-21)27-19-26(23-9-11-24(33-2)12-10-23)30-32(27)29(34-28)14-16-31(17-15-29)20-22-6-4-3-5-7-22/h3-13,18,27H,14-17,19-20H2,1-2H3
InChIKey
XYTOZJVLVMHAAC-UHFFFAOYSA-N
Synonyms
5304-71-2
1benzyl2(4methoxyphenyl)9methyl110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl2(4methoxyphenyl)9methyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL2(4METHOXYPHENYL)9METHYLSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
5304712
CC1=CC2=C(C=C1)OC3(CCN(CC3)CC4=CC=CC=C4)N5C2CC(=N5)C6=CC=C(C=C6)OC
InChI=1SC29H31N3O2c1218132825(1821)271926(2391124(332)121023)3032(27)29(3428)141631(171529)20226435722h3131827H14171920H212H3
MFCD05683395
ZINC000009307741
ZINC000009307742

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Available files

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