Vitas-M small molecule compound

1-benzyl-2'-(2,4-dichlorophenyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

Catalog ID
STK554736
SMILES COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc(cc1Cl)Cl

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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 C28H27Cl2N3O2 MW 508.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27Cl2N3O2/c1-34-26-9-5-8-22-25-17-24(21-11-10-20(29)16-23(21)30)31-33(25)28(35-27(22)26)12-14-32(15-13-28)18-19-6-3-2-4-7-19/h2-11,16,25H,12-15,17-18H2,1H3
InChIKey
GOPMRNOOTMRKNG-UHFFFAOYSA-N
Synonyms
840477-91-0
1benzyl2(24dichlorophenyl)7methoxy110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
1benzyl2(24dichlorophenyl)7methoxy110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1BENZYL2(24DICHLOROPHENYL)7METHOXYSPIRO(110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE54PIPERIDINE)
840477910
COC1=CC=CC2=C1OC3(CCN(CC3)CC4=CC=CC=C4)N5C2CC(=N5)C6=C(C=C(C=C6)Cl)Cl
InChI=1SC28H27Cl2N3O2c1342695822251724(21111020(29)1623(21)30)3133(25)28(3527(22)26)121432(151328)18196324719h2111625H12151718H21H3
MFCD04006233
ZINC000009462931
ZINC000009462933

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.