Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL529877
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C
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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/c1-15-5-3-6-16-13-18-19(20(28)23(15,16)2)17(21(29)30-18)14-26-9-11-27(12-10-26)22-24-7-4-8-25-22/h4,6-8,15,17-20,28H,3,5,9-14H2,1-2H3/t15-,17?,18+,19+,20-,23+/m0/s1InChIKey
BNFUIDSOFLPLAA-FIZIUJBOSA-NSynonyms
1212475-63-2(3S3aS4S4aR5S9aR)4hydroxy4a5dimethyl3((4(pyrimidin2yl)piperazin1yl)methyl)3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212475632
InChI=1SC23H32N4O3c11553616131819(20(28)23(1516)2)17(21(29)3018)142691127(121026)22247482522h46815172028H35914H212H3t1517?18+19+2023+m0s1
MFCD32649909
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ncccn1)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000061997579
ZINC000070686797
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