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]-2-[1-(propan-2-yl)-1H-indol-3-yl]ethanone
Catalog ID
STL545629
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)Cc1cn(c2c1cccc2)C(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 C28H37N3O MW 431.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O/c1-19(2)31-18-22(24-9-3-4-11-26(24)31)16-27(32)30-13-7-8-20-14-21-15-23(28(20)30)17-29-12-6-5-10-25(21)29/h3-4,9,11,14,18-19,21,23,25,28H,5-8,10,12-13,15-17H2,1-2H3/t21-,23+,25?,28?/m0/s1InChIKey
HRHOVZHGSNEKQV-JPAYFYKDSA-NSynonyms
1((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2(1(propan2yl)1Hindol3yl)ethanone
1((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2(1isopropyl1Hindol3yl)ethanone
InChI=1SC28H37N3Oc119(2)311822(249341126(24)31)1627(32)3013782014211523(28(20)30)172912651025(21)29h3491114181921232528H581012131517H212H3t2123+25?28?m0s1
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)Cc1cn(c2c1cccc2)C(C)C
ZINC000225411511
ZINC000252515158
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