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]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
Catalog ID
STL547788
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)CCc1c(C)n[nH]c1C
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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 C23H34N4O MW 382.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34N4O/c1-15-20(16(2)25-24-15)8-9-22(28)27-11-5-6-17-12-18-13-19(23(17)27)14-26-10-4-3-7-21(18)26/h12,18-19,21,23H,3-11,13-14H2,1-2H3,(H,24,25)/t18-,19+,21?,23?/m0/s1InChIKey
LLKWNYYJRIMWIR-BYUXKFDVSA-NSynonyms
1((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3(35dimethyl1Hpyrazol4yl)propan1one
3(35dimethyl1Hpyrazol4yl)1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)propan1one
InChI=1SC23H34N4Oc11520(16(2)252415)8922(28)2711561712181319(23(17)27)14261043721(18)26h1218192123H3111314H212H3(H2425)t1819+21?23?m0s1
O=C(N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31)CCc1c(C)n(nH)c1C
ZINC000524729256
ZINC000524729259
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