Vitas-M small molecule compound
1-[(6R,6aR,13aS)-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-4-(2-methylprop-2-en-1-yl)-1H-pyrazol-1-yl]propan-1-one
Catalog ID
STL578990
SMILES CC(=C)Cc1c(C)nn(c1C)CCC(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C27H40N4O MW 436.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N4O/c1-18(2)14-24-19(3)28-31(20(24)4)13-10-26(32)30-12-7-8-21-15-22-16-23(27(21)30)17-29-11-6-5-9-25(22)29/h15,22-23,25,27H,1,5-14,16-17H2,2-4H3/t22-,23+,25+,27+/m0/s1InChIKey
QZPFTVGGFVVGQQ-CXQACEEJSA-NSynonyms
1((6R6aR13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)3(35dimethyl4(2methylprop2en1yl)1Hpyrazol1yl)propan1one
3(35dimethyl4(2methylallyl)1Hpyrazol1yl)1((6R13R)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)propan1one
CC(=C)Cc1c(C)nn(c1C)CCC(=O)N1CCCC2=C(C@H)3C(C@H)(C12)CN1CCCCC31
InChI=1SC27H40N4Oc118(2)142419(3)2831(20(24)4)131026(32)3012782115221623(27(21)30)17291165925(22)29h1522232527H15141617H224H3t2223+25+27+m0s1
MFCD33397394
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