Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)isoleucine
Catalog ID
STL528164
SMILES CCC(C(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)C
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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 C33H47NO9 MW 601.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47NO9/c1-6-19(2)29(30(40)41)34-27(38)9-10-28(39)42-18-26(37)33(43-20(3)35)16-13-25-23-8-7-21-17-22(36)11-14-31(21,4)24(23)12-15-32(25,33)5/h17,19,23-25,29H,6-16,18H2,1-5H3,(H,34,38)(H,40,41)/t19?,23?,24?,25?,29?,31-,32-,33-/m0/s1InChIKey
NQOFOEVDLXISMR-PEZMLGACSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylpentanoicacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylpentanoicacid
44662153
CCC(C(C(=O)O)NC(=O)CCC(=O)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)C
InChI=1SC33H47NO9c1619(2)29(30(40)41)3427(38)91028(39)421826(37)33(4320(3)35)1613252387211722(36)111431(214)24(23)121532(2533)5h1719232529H61618H215H3(H3438)(H4041)t19?23?24?25?29?313233m0s1
MFCD03849934
N(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)isoleucine
ZINC000253505892
ZINC000253505900
Check stock
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Check stock on Vitas-MAvailable files
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