Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)glycine
Catalog ID
STL528115
SMILES O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)NCC(=O)O
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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 C29H39NO9 MW 545.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO9/c1-17(31)39-29(23(33)16-38-26(37)7-6-24(34)30-15-25(35)36)13-10-22-20-5-4-18-14-19(32)8-11-27(18,2)21(20)9-12-28(22,29)3/h14,20-22H,4-13,15-16H2,1-3H3,(H,30,34)(H,35,36)/t20?,21?,22?,27-,28-,29-/m0/s1InChIKey
ZTNURFNXCRKDQE-HJROXUHBSA-NSynonyms
135639365
2((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)aceticacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)aceticacid
InChI=1SC29H39NO9c117(31)3929(23(33)163826(37)7624(34)301525(35)36)1310222054181419(32)81127(182)21(20)91228(2229)3h142022H4131516H213H3(H3034)(H3536)t20?21?22?272829m0s1
MFCD03849971
N(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)glycine
O=C(OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C)CCC(=O)NCC(=O)O
ZINC001772492373
ZINC001772492376
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.