Vitas-M small molecule compound

(3S,3aR,4aR,8aR,9aR)-3-(((3,4-dimethoxybenzyl)(3-morpholinopropyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one

Catalog ID
STL540849
SMILES COc1ccc(cc1OC)CN(CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCCC21OC2)CCCN1CCOCC1

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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 C31H46N2O6 MW 542.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46N2O6/c1-30-8-4-9-31(21-38-31)28(30)17-23-24(29(34)39-27(23)18-30)20-33(11-5-10-32-12-14-37-15-13-32)19-22-6-7-25(35-2)26(16-22)36-3/h6-7,16,23-24,27-28H,4-5,8-15,17-21H2,1-3H3/t23-,24?,27-,28-,30-,31?/m1/s1
InChIKey
WOQBIFKPOPOTNT-AZIFINEXSA-N
Synonyms
956941-94-9
(3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))3(((34dimethoxyphenyl)methyl(3morpholin4ylpropyl)amino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR4aR8aR9aR)3(((34dimethoxybenzyl)(3morpholinopropyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
16400716
956941949
COc1ccc(cc1OC)CN(CC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCCC21OC2)CCCN1CCOCC1
InChI=1SC31H46N2O6c13084931(213831)28(30)172324(29(34)3927(23)1830)2033(1151032121437151332)19226725(352)26(1622)363h671623242728H458151721H213H3t2324?27283031?m1s1
ZINC000070687702
ZINC000070687711

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Available files

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