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Vitas-M small molecule compound

N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)leucine

Catalog ID
STL528100
SMILES CC(CC(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/c1-19(2)16-26(30(40)41)34-28(38)8-9-29(39)42-18-27(37)33(43-20(3)35)15-12-25-23-7-6-21-17-22(36)10-13-31(21,4)24(23)11-14-32(25,33)5/h17,19,23-26H,6-16,18H2,1-5H3,(H,34,38)(H,40,41)/t23?,24?,25?,26?,31-,32-,33-/m0/s1
InChIKey
QJYRTSQMRUJKHG-XUSNPDIQSA-N
Synonyms

2((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)4methylpentanoicacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)4methylpentanoicacid
44661977
CC(CC(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=1SC33H47NO9c119(2)1626(30(40)41)3428(38)8929(39)421827(37)33(4320(3)35)1512252376211722(36)101331(214)24(23)111432(2533)5h17192326H61618H215H3(H3438)(H4041)t23?24?25?26?313233m0s1
MFCD03850022
N(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)leucine
ZINC000253506155
ZINC000253506164

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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