Vitas-M small molecule compound
methyl N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalaninate
Catalog ID
STL524974
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=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 C35H45NO9 MW 623.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45NO9/c1-33-15-13-23(37)18-22(33)9-10-24-25-14-16-35(43,34(25,2)19-27(38)31(24)33)28(39)20-45-30(41)12-11-29(40)36-26(32(42)44-3)17-21-7-5-4-6-8-21/h4-8,18,24-27,31,38,43H,9-17,19-20H2,1-3H3,(H,36,40)/t24?,25?,26?,27?,31?,33-,34-,35-/m0/s1InChIKey
LPYOTLGAPDTHHE-ICDSPQBISA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((1methoxy1oxo3phenylpropan2yl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((1methoxy1oxo3phenylpropan2yl)amino)4oxobutanoate
44663317
COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC35H45NO9c133151323(37)1822(33)9102425141635(4334(252)1927(38)31(24)33)28(39)204530(41)121129(40)3626(32(42)443)17217546821h48182427313843H9171920H213H3(H3640)t24?25?26?27?31?333435m0s1
methylN(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)phenylalaninate
MFCD02058581
ZINC000253503344
ZINC000253503353
Check stock
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