Vitas-M small molecule compound
N-(4-oxo-4-{[(5alpha,8xi,9xi,14xi)-3-oxoandrostan-17-yl]oxy}butanoyl)methionine
Catalog ID
STL540486
SMILES CSCCC(C(=O)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(=O)C2
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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 C28H43NO6S MW 521.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43NO6S/c1-27-13-10-18(30)16-17(27)4-5-19-20-6-7-23(28(20,2)14-11-21(19)27)35-25(32)9-8-24(31)29-22(26(33)34)12-15-36-3/h17,19-23H,4-16H2,1-3H3,(H,29,31)(H,33,34)/t17-,19?,20?,21?,22?,23?,27-,28-/m0/s1InChIKey
VBFWCPMYEUWENW-KVXBSIFCSA-NSynonyms
135639546
2((4(((5~(S)10~(S)13~(S))1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)4methylsulfanylbutanoicacid
2(4(((5S8R9S10S13S14S)1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)4(methylthio)butanoicacid
CSCCC(C(=O)O)NC(=O)CCC(=O)OC1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CCC(=O)C2
InChI=1SC28H43NO6Sc127131018(30)1617(27)4519206723(28(202)141121(19)27)3525(32)9824(31)2922(26(33)34)1215363h171923H416H213H3(H2931)(H3334)t1719?20?21?22?23?2728m0s1
N(4oxo4(((5alpha8xi9xi14xi)3oxoandrostan17yl)oxy)butanoyl)methionine
ZINC000504231069
ZINC001772492629
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.