Vitas-M small molecule compound
(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[1-(1H-tetrazol-1-yl)cyclohexyl]methanone
Catalog ID
STL549891
SMILES O=C(C1(CCCCC1)n1cnnn1)N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31
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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 C23H34N6O MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34N6O/c30-22(23(9-3-1-4-10-23)29-16-24-25-26-29)28-12-6-7-17-13-18-14-19(21(17)28)15-27-11-5-2-8-20(18)27/h13,16,18-21H,1-12,14-15H2/t18-,19+,20?,21?/m0/s1InChIKey
ZHNXPGWPEZWEKC-KREBGBLKSA-NSynonyms
(1(1Htetrazol1yl)cyclohexyl)((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)methanone
(6R13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(1(1Htetrazol1yl)cyclohexyl)methanone
InChI=1SC23H34N6Oc3022(23(93141023)291624252629)2812671713181419(21(17)28)15271152820(18)27h13161821H1121415H2t1819+20?21?m0s1
O=C(C1(CCCCC1)n1cnnn1)N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31
ZINC000604406211
ZINC000604406214
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