Vitas-M small molecule compound
1-benzyl-9'-chloro-2'-phenyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL022403
SMILES Clc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccccc1
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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 C27H26ClN3O MW 443.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O/c28-22-11-12-26-23(17-22)25-18-24(21-9-5-2-6-10-21)29-31(25)27(32-26)13-15-30(16-14-27)19-20-7-3-1-4-8-20/h1-12,17,25H,13-16,18-19H2InChIKey
JEHMUUGNGQASKI-UHFFFAOYSA-NSynonyms
1benzyl9chloro2phenyl110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
1benzyl9chloro2phenylspiro(110bdihydropyrazolo(15c)(13)benzoxazine54piperidine)
2CHLORO9PHENYL14BENZYLSPIRO(10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE64PIPERIDINE)
C1CN(CCC12N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)Cl)CC6=CC=CC=C6
InChI=1SC27H26ClN3Oc282211122623(1722)251824(2195261021)2931(25)27(3226)131530(161427)19207314820h1121725H13161819H2
MFCD06640506
ZINC000008717703
ZINC000008717704
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