Vitas-M small molecule compound
(2'R,3S,3aR,4aR,8aR,9aR)-3-(((3-hydroxypropyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL541888
SMILES OCCCNCC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[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 C18H29NO4 MW 323.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29NO4/c1-17-4-2-5-18(11-22-18)15(17)8-12-13(10-19-6-3-7-20)16(21)23-14(12)9-17/h12-15,19-20H,2-11H2,1H3/t12-,13?,14-,15-,17-,18+/m1/s1InChIKey
SHTWMNOBENSPNY-XURZYZGOSA-NSynonyms
957044-80-3(2R3S3aR4aR8aR9aR)3(((3hydroxypropyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((3hydroxypropylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401119
957044803
InChI=1SC18H29NO4c11742518(112218)15(17)81213(101963720)16(21)2314(12)917h12151920H211H21H3t1213?14151718+m1s1
OCCCNCC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2
ZINC000004073912
ZINC000012867790
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