Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)alanine
Catalog ID
STL528021
SMILES O=C(NC(C(=O)O)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[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 C28H39NO8 MW 517.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO8/c1-16(25(34)35)29-23(32)6-7-24(33)37-15-22(31)28(36)13-10-21-19-5-4-17-14-18(30)8-11-26(17,2)20(19)9-12-27(21,28)3/h14,16,19-21,36H,4-13,15H2,1-3H3,(H,29,32)(H,34,35)/t16?,19?,20?,21?,26-,27-,28-/m0/s1InChIKey
HVVPPUPTQIHEMV-BEOXRNCMSA-NSynonyms
135639357
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoicacid
2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanoicacid
InChI=1SC28H39NO8c116(25(34)35)2923(32)6724(33)371522(31)28(36)1310211954171418(30)81126(172)20(19)91227(2128)3h1416192136H41315H213H3(H2932)(H3435)t16?19?20?21?262728m0s1
MFCD03849889
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)alanine
O=C(NC(C(=O)O)C)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC001772492345
ZINC001772492348
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.