Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((4-(furan-2-yl)butan-2-yl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one oxalate
Catalog ID
STL529196
SMILES CC(CCc1ccco1)NCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)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 C23H33NO3 MW 371.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO3/c1-15-6-4-10-23(3)13-21-18(12-20(15)23)19(22(25)27-21)14-24-16(2)8-9-17-7-5-11-26-17/h5,7,11-12,15-16,18-19,21,24H,4,6,8-10,13-14H2,1-3H3/t15-,16?,18+,19?,21+,23+/m0/s1InChIKey
ORYWHTWXSGORLG-DFIKSICWSA-NSynonyms
(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(furan2yl)butan2ylamino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((4(furan2yl)butan2yl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)oneoxalate
16400703
InChI=1SC23H33NO3c115641023(3)132118(1220(15)23)19(22(25)2721)142416(2)891775112617h571112151618192124H468101314H213H3t1516?18+19?21+23+m0s1
MFCD32649902
OC(=O)C(=O)OCC(CCc1ccco1)NCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
ZINC000004073600
ZINC000012865746
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