Vitas-M small molecule compound

1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3a,4,5,6,7,7a-hexahydrospiro[1,3-benzodioxole-2,3'-indol]-2'(1'H)-one

Catalog ID
STK686201
SMILES COc1ccc(cc1)N1CCN(CC1)CN1c2ccccc2C2(C1=O)OC1C(O2)CCCC1

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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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-31-20-12-10-19(11-13-20)28-16-14-27(15-17-28)18-29-22-7-3-2-6-21(22)26(25(29)30)32-23-8-4-5-9-24(23)33-26/h2-3,6-7,10-13,23-24H,4-5,8-9,14-18H2,1H3
InChIKey
VBBNJIKOMYXICX-UHFFFAOYSA-N
Synonyms

1((4(4methoxyphenyl)piperazin1yl)methyl)3a45677ahexahydrospiro(13benzodioxole23indol)2(1H)one
1((4(4methoxyphenyl)piperazin1yl)methyl)spiro(3a45677ahexahydro13benzodioxole23indole)2one
COC1=CC=C(C=C1)N2CCN(CC2)CN3C4=CC=CC=C4C5(C3=O)OC6CCCCC6O5
InChI=1SC26H31N3O4c13120121019(111320)28161427(151728)182922732621(22)26(25(29)30)3223845924(23)3326h236710132324H45891418H21H3
MFCD06015147
ZINC000012420875
ZINC000252430943

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Available files

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