Vitas-M small molecule compound
(2'R,3S,3aR,4aR,8aR,9aR)-3-(((1-hydroxybutan-2-yl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL541918
SMILES CCC(NCC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCC[C@]21OC2)CO
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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 C19H31NO4 MW 337.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO4/c1-3-12(10-21)20-9-14-13-7-16-18(2,8-15(13)24-17(14)22)5-4-6-19(16)11-23-19/h12-16,20-21H,3-11H2,1-2H3/t12?,13-,14?,15-,16-,18-,19+/m1/s1InChIKey
HJEYFUGZUBXHKS-DFNCKQNESA-NSynonyms
956943-06-9(2R3S3aR4aR8aR9aR)3(((1hydroxybutan2yl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((1hydroxybutan2ylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401362
956943069
CCC(NCC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2)CO
InChI=1SC19H31NO4c1312(1021)209141371618(2815(13)2417(14)22)54619(16)112319h12162021H311H212H3t12?1314?15161819+m1s1
ZINC000004074102
ZINC000012869245
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