Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((1,3-dihydroxy-2-methylpropan-2-yl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL564989
SMILES OCC(NCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)(CO)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 C19H31NO4 MW 337.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO4/c1-12-5-4-6-18(2)8-16-13(7-15(12)18)14(17(23)24-16)9-20-19(3,10-21)11-22/h7,12-14,16,20-22H,4-6,8-11H2,1-3H3/t12-,13+,14?,16+,18+/m0/s1InChIKey
RWZIHELHZIFYEH-ULBSUTOKSA-NSynonyms
956961-57-2(3aR5S8aR9aR)3(((13dihydroxy2methylpropan2yl)amino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((13dihydroxy2methylpropan2yl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16398519
956961572
InChI=1SC19H31NO4c11254618(2)81613(715(12)18)14(17(23)2416)92019(31021)1122h71214162022H46811H213H3t1213+14?16+18+m0s1
MFCD32651623
OCC(NCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C)(CO)C
ZINC000004044682
ZINC000012661721
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