Vitas-M small molecule compound
1-[(6R)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-4-(1-methyl-1H-indol-3-yl)butan-1-one
Catalog ID
STL544750
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)CCCc1cn(c2c1cccc2)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 C28H37N3O MW 431.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O/c1-29-18-21(24-10-2-3-12-26(24)29)8-6-13-27(32)31-15-7-9-20-16-22-17-23(28(20)31)19-30-14-5-4-11-25(22)30/h2-3,10,12,16,18,22-23,25,28H,4-9,11,13-15,17,19H2,1H3/t22-,23+,25?,28?/m0/s1InChIKey
BBBCUVRVWQGBDA-KVNOVOFBSA-NSynonyms
1((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)4(1methyl1Hindol3yl)butan1one
1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)4(1methyl1Hindol3yl)butan1one
InChI=1SC28H37N3Oc1291821(2410231226(24)29)861327(32)3115792016221723(28(20)31)193014541125(22)30h231012161822232528H491113151719H21H3t2223+25?28?m0s1
O=C(N1CCCC2=C(C@H)3C(C@@H)(C12)CN1CCCCC31)CCCc1cn(c2c1cccc2)C
ZINC000218087382
ZINC000252514065
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