Vitas-M small molecule compound
N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)alanine
Catalog ID
STL542539
SMILES O=C(NC(C(=O)O)C)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C26H37NO6 MW 459.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO6/c1-15(24(31)32)27-22(29)8-9-23(30)33-21-7-6-19-18-5-4-16-14-17(28)10-12-25(16,2)20(18)11-13-26(19,21)3/h14-15,18-21H,4-13H2,1-3H3,(H,27,29)(H,31,32)/t15?,18?,19?,20?,21?,25-,26-/m0/s1InChIKey
WHJLNJKELQXEJE-IVIPKCIBSA-NSynonyms
16398189
2((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)propanoicacid
2(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)propanoicacid
InChI=1SC26H37NO6c115(24(31)32)2722(29)8923(30)332176191854161417(28)101225(162)20(18)111326(1921)3h14151821H413H213H3(H2729)(H3132)t15?18?19?20?21?2526m0s1
MFCD03660942
N(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)alanine
O=C(NC(C(=O)O)C)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000012661566
ZINC000253500103
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