Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-((4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)methyl)-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one oxalate
Catalog ID
STL531993
SMILES OCCOCCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C(=CCC[C@H]1C)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 C23H38N2O5 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H38N2O5/c1-16-4-3-5-17-14-19-20(21(27)23(16,17)2)18(22(28)30-19)15-25-8-6-24(7-9-25)10-12-29-13-11-26/h5,16,18-21,26-27H,3-4,6-15H2,1-2H3/t16-,18?,19+,20+,21-,23+/m0/s1InChIKey
XVSALQNXXRYARZ-WUYBOZCISA-NSynonyms
(3S3aS4S4aR5S9aR)4hydroxy3((4(2(2hydroxyethoxy)ethyl)piperazin1yl)methyl)4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)oneoxalate
InChI=1SC23H38N2O5c11643517141920(21(27)23(1617)2)18(22(28)3019)15258624(7925)101229131126h51618212627H34615H212H3t1618?19+20+2123+m0s1
MFCD32649934
OC(=O)C(=O)OOCCOCCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000019369923
ZINC000022457322
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