Vitas-M small molecule compound
N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)cysteine
Catalog ID
STL528229
SMILES SCC(C(=O)O)NC(=O)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 C26H37NO6S MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO6S/c1-25-11-9-16(28)13-15(25)3-4-17-18-5-6-21(26(18,2)12-10-19(17)25)33-23(30)8-7-22(29)27-20(14-34)24(31)32/h13,17-21,34H,3-12,14H2,1-2H3,(H,27,29)(H,31,32)/t17?,18?,19?,20?,21?,25-,26-/m0/s1InChIKey
RMDHGXDQIQAJFN-XCYADFCOSA-NSynonyms
16398524
2((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)3sulfanylpropanoicacid
2(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)3mercaptopropanoicacid
InChI=1SC26H37NO6Sc12511916(28)1315(25)3417185621(26(182)121019(17)25)3323(30)8722(29)2720(1434)24(31)32h13172134H31214H212H3(H2729)(H3132)t17?18?19?20?21?2526m0s1
MFCD03850125
N(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)cysteine
SCC(C(=O)O)NC(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000008964720
ZINC000253499916
Check stock
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Check stock on Vitas-MAvailable files
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