Vitas-M small molecule compound
1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
Catalog ID
STK780984
SMILES O=C1N(CN2CCN(CC2)c2ccccc2F)c2c(C31OC1C(O3)CCCCC1)cccc2
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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 C26H30FN3O3 MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30FN3O3/c27-20-9-5-7-11-22(20)29-16-14-28(15-17-29)18-30-21-10-6-4-8-19(21)26(25(30)31)32-23-12-2-1-3-13-24(23)33-26/h4-11,23-24H,1-3,12-18H2InChIKey
BNRSQQBPZNBOSB-UHFFFAOYSA-NSynonyms
1((4(2fluorophenyl)piperazin1yl)methyl)456788ahexahydro3aHspiro(cyclohepta(d)(13)dioxole23indol)2(1H)one
1((4(2fluorophenyl)piperazin1yl)methyl)spiro(456788ahexahydro3aHcyclohepta(d)(13)dioxole23indole)2one
C1CCC2C(CC1)OC3(O2)C4=CC=CC=C4N(C3=O)CN5CCN(CC5)C6=CC=CC=C6F
InChI=1SC26H30FN3O3c27209571122(20)29161428(151729)1830211064819(21)26(25(30)31)3223122131324(23)3326h4112324H131218H2
MFCD06014117
ZINC000012377345
ZINC000252430639
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