Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)glycine
Catalog ID
STL540224
SMILES O=C(NCC(=O)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 C27H35NO9 MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO9/c1-25-9-7-16(29)11-15(25)3-4-17-18-8-10-27(36,26(18,2)12-19(30)24(17)25)20(31)14-37-23(35)6-5-21(32)28-13-22(33)34/h11,17-18,24,36H,3-10,12-14H2,1-2H3,(H,28,32)(H,33,34)/t17?,18?,24?,25-,26-,27-/m0/s1InChIKey
ZXEULDJSILFOED-CEBBPSTHSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)aceticacid
2(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)aceticacid
53229828
InChI=1SC27H35NO9c1259716(29)1115(25)34171881027(3626(182)1219(30)24(17)25)20(31)143723(35)6521(32)281322(33)34h1117182436H3101214H212H3(H2832)(H3334)t17?18?24?252627m0s1
MFCD04146249
N(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)glycine
O=C(NCC(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000049942550
ZINC000253531228
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.