Vitas-M small molecule compound
(6S,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(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone
Catalog ID
STL548490
SMILES O=C(c1[nH]nc2c1CCC2)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 C22H30N4O MW 366.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O/c27-22(20-17-6-3-7-18(17)23-24-20)26-10-4-5-14-11-15-12-16(21(14)26)13-25-9-2-1-8-19(15)25/h11,15-16,19,21H,1-10,12-13H2,(H,23,24)/t15-,16+,19?,21?/m0/s1InChIKey
DCYPWEXSDWXVGJ-ZIMDUQAISA-NSynonyms
((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)(1456tetrahydrocyclopenta(c)pyrazol3yl)methanone
(6S13S)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl(2456tetrahydrocyclopenta(c)pyrazol3yl)methanone
InChI=1SC22H30N4Oc2722(201763718(17)232420)2610451411151216(21(14)26)1325921819(15)25h1115161921H1101213H2(H2324)t1516+19?21?m0s1
O=C(c1n(nH)c2c1CCC2)N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31
ZINC000253399596
ZINC000253399602
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