Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2,2-dimethoxyethyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one oxalate
Catalog ID
STL534112
SMILES COC(CNCC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2)OC
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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 C19H31NO5 MW 353.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO5/c1-18-5-4-6-19(11-24-19)15(18)7-12-13(17(21)25-14(12)8-18)9-20-10-16(22-2)23-3/h12-16,20H,4-11H2,1-3H3/t12-,13?,14-,15?,18-,19?/m1/s1InChIKey
QYBZORASFQWCSU-OZMIHBLBSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((22dimethoxyethylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((22dimethoxyethyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2oneoxalate
16404717
InChI=1SC19H31NO5c11854619(112419)15(18)71213(17(21)2514(12)818)9201016(222)233h121620H411H213H3t1213?1415?1819?m1s1
OC(=O)C(=O)OCOC(CNCC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2)OC
ZINC000012884833
ZINC000230063863
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