Vitas-M small molecule compound
(2'R,3S,3aR,4aR,8aR,9aR)-3-((isobutylamino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL541001
SMILES CC(CNCC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCC[C@]21OC2)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 C19H31NO3 MW 321.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO3/c1-12(2)9-20-10-14-13-7-16-18(3,8-15(13)23-17(14)21)5-4-6-19(16)11-22-19/h12-16,20H,4-11H2,1-3H3/t13-,14?,15-,16-,18-,19+/m1/s1InChIKey
YUFQSWDIQSOHMA-ZCQHQITFSA-NSynonyms
956961-19-6(2R3S3aR4aR8aR9aR)3((isobutylamino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((2methylpropylamino)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401270
956961196
CC(CNCC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2)C
InChI=1SC19H31NO3c112(2)92010141371618(3815(13)2317(14)21)54619(16)112219h121620H411H213H3t1314?15161819+m1s1
ZINC000004074009
ZINC000012868635
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