Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-3-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL528048
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)CC1[C@](C2)(C)CCC[C@]21OC2
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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 C25H33FN2O3 MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33FN2O3/c1-24-7-4-8-25(16-30-25)22(24)13-17-18(23(29)31-21(17)14-24)15-27-9-11-28(12-10-27)20-6-3-2-5-19(20)26/h2-3,5-6,17-18,21-22H,4,7-16H2,1H3/t17-,18?,21-,22?,24-,25+/m1/s1InChIKey
NTIBRLUAJIGIPI-IAAQRJIDSA-NSynonyms
956993-87-6(2R3S3aR8aR9aR)3((4(2fluorophenyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((4(2fluorophenyl)piperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16398687
956993876
InChI=1SC25H33FN2O3c12474825(163025)22(24)131718(23(29)3121(17)1424)152791128(121027)20632519(20)26h235617182122H4716H21H3t1718?2122?2425+m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccc1F)CC1(C@)(C2)(C)CCC(C@)21OC2
ZINC000061997025
ZINC000061997028
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