Vitas-M small molecule compound
1-[(6R,13S)-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-(4-nitro-1H-indol-1-yl)ethanone
Catalog ID
STL549714
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)Cn1ccc2c1cccc2[N+](=O)[O-]
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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 C25H30N4O3 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3/c30-24(16-27-12-9-20-22(27)7-3-8-23(20)29(31)32)28-11-4-5-17-13-18-14-19(25(17)28)15-26-10-2-1-6-21(18)26/h3,7-9,12-13,18-19,21,25H,1-2,4-6,10-11,14-16H2/t18-,19+,21?,25?/m0/s1InChIKey
QDQJBHNRFUPYAW-JPRPHKIYSA-NSynonyms
1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2(4nitro1Hindol1yl)ethanone
1((6R13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2(4nitro1Hindol1yl)ethanone
InChI=1SC25H30N4O3c3024(16271292022(27)73823(20)29(31)32)2811451713181419(25(17)28)15261021621(18)26h379121318192125H124610111416H2t1819+21?25?m0s1
O=C(N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31)Cn1ccc2c1cccc2(N+)(=O)(O)
ZINC000604405556
ZINC000604405559
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