Vitas-M small molecule compound
6',6'-dimethyl-2,3,4,5',6',9-hexahydrodispiro[beta-carboline-1,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclohexan]-2'-one
Catalog ID
STL361448
SMILES O=C1N2c3c(C41NCCc1c4[nH]c4c1cccc4)cccc3C(CC12CCCCC1)(C)C
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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 C28H31N3O MW 425.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O/c1-26(2)17-27(14-6-3-7-15-27)31-23-20(26)10-8-11-21(23)28(25(31)32)24-19(13-16-29-28)18-9-4-5-12-22(18)30-24/h4-5,8-12,29-30H,3,6-7,13-17H2,1-2H3InChIKey
JFCNLEUEUKFFGN-UHFFFAOYSA-NSynonyms
66dimethyl234569hexahydrodispiro(betacarboline11pyrrolo(321ij)quinoline41cyclohexan)2one
CC1(CC2(CCCCC2)N3C4=C(C=CC=C41)C5(C3=O)C6=C(CCN5)C7=CC=CC=C7N6)C
InChI=1SC28H31N3Oc126(2)1727(146371527)312320(26)1081121(23)28(25(31)32)2419(13162928)189451222(18)3024h458122930H3671317H212H3
MFCD08087979
O=C1N2c3c(C41NCCc1c4(nH)c4c1cccc4)cccc3C(CC12CCCCC1)(C)C
ZINC000014162411
ZINC000014162414
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