Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-[(cyclohexylmethyl)amino]-4-oxobutanoate
Catalog ID
STL536908
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC1CCCCC1
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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 C32H47NO6 MW 541.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H47NO6/c1-30-15-12-23(34)18-22(30)8-9-24-25(30)13-16-31(2)26(24)14-17-32(31,38)27(35)20-39-29(37)11-10-28(36)33-19-21-6-4-3-5-7-21/h18,21,24-26,38H,3-17,19-20H2,1-2H3,(H,33,36)/t24?,25?,26?,30-,31-,32-/m0/s1InChIKey
QEEYDUHHZBDGIS-OJWHELSRSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(cyclohexylmethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl4((cyclohexylmethyl)amino)4oxobutanoate
16405453
2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((cyclohexylmethyl)amino)4oxobutanoate
InChI=1SC32H47NO6c130151223(34)1822(30)892425(30)131631(2)26(24)141732(3138)27(35)203929(37)111028(36)3319216435721h1821242638H3171920H212H3(H3336)t24?25?26?303132m0s1
MFCD07636973
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)NCC1CCCCC1
ZINC000008791764
ZINC000253499132
Check stock
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