Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL003390
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1=CCCCC1
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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 C33H47NO6 MW 553.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47NO6/c1-31-16-12-24(35)20-23(31)8-9-25-26(31)13-17-32(2)27(25)14-18-33(32,39)28(36)21-40-30(38)11-10-29(37)34-19-15-22-6-4-3-5-7-22/h6,20,25-27,39H,3-5,7-19,21H2,1-2H3,(H,34,37)/t25?,26?,27?,31-,32-,33-/m0/s1InChIKey
YLDXDJDYDUJIIP-RFSZYQAGSA-NSynonyms
(2((10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)4(2(cyclohexen1yl)ethylamino)4oxobutanoate
(8XI9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL4((2(CYCLOHEX1EN1YL)ETHYL)AMINO)4OXOBUTANOATE
2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2(cyclohex1en1yl)ethyl)amino)4oxobutanoate
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCCC5=CCCCC5)O)C
InChI=1SC33H47NO6c131161224(35)2023(31)892526(31)131732(2)27(25)141833(3239)28(36)214030(38)111029(37)341915226435722h620252739H3571921H212H3(H3437)t25?26?27?313233m0s1
MFCD07207552
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCC1=CCCCC1
ZINC000070705607
ZINC000253502039
Check stock
See real-time availability and sample size for STL003390 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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