Vitas-M small molecule compound
(3S,3aR,4aR,8aR,9aR)-3-(((4-(furan-2-yl)butan-2-yl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL542128
SMILES CC(NCC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCCC21OC2)CCc1ccco1
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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 C23H33NO4 MW 387.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO4/c1-15(6-7-16-5-3-10-26-16)24-13-18-17-11-20-22(2,12-19(17)28-21(18)25)8-4-9-23(20)14-27-23/h3,5,10,15,17-20,24H,4,6-9,11-14H2,1-2H3/t15?,17-,18?,19-,20-,22-,23?/m1/s1InChIKey
SSCYZNWHTIRQSX-GAWSNVGNSA-NSynonyms
1214629-03-4(3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(furan2yl)butan2ylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR4aR8aR9aR)3(((4(furan2yl)butan2yl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1214629034
16400840
CC(NCC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCCC21OC2)CCc1ccco1
InChI=1SC23H33NO4c115(671653102616)24131817112022(21219(17)2821(18)25)84923(20)142723h351015172024H4691114H212H3t15?1718?19202223?m1s1
ZINC000004073729
ZINC000230011067
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