Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-9-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL533361
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)C1OC31[C@](C2)(C)CCC[C@@H]3C
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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 C23H32N4O3 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O3/c1-15-5-3-6-22(2)13-17-18(19-23(15,22)30-19)16(20(28)29-17)14-26-9-11-27(12-10-26)21-24-7-4-8-25-21/h4,7-8,15-19H,3,5-6,9-14H2,1-2H3/t15-,16?,17+,18+,19?,22+,23?/m0/s1InChIKey
DJKXKXACTBROJG-ZXBOZKJOSA-NSynonyms
1212461-29-4(2S5aR6aR9S9aR)25adimethyl9((4(pyrimidin2yl)piperazin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4pyrimidin2ylpiperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212461294
16404711
InChI=1SC23H32N4O3c11553622(2)131718(1923(1522)3019)16(20(28)2917)142691127(121026)21247482521h4781519H356914H212H3t1516?17+18+19?22+23?m0s1
MFCD32649948
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ncccn1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000061999394
ZINC000100775792
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