Vitas-M small molecule compound

1-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-4-hydroxyproline

Catalog ID
STL527353
SMILES OC1CC(N(C1)C(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)C(=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 C32H43NO10 MW 601.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43NO10/c1-18(34)43-32(26(37)17-42-28(39)7-6-27(38)33-16-21(36)15-25(33)29(40)41)13-10-24-22-5-4-19-14-20(35)8-11-30(19,2)23(22)9-12-31(24,32)3/h14,21-25,36H,4-13,15-17H2,1-3H3,(H,40,41)/t21?,22?,23?,24?,25?,30-,31-,32-/m0/s1
InChIKey
ZQLUAONXKBONOF-BFCQBTIYSA-N
Synonyms

1(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)4hydroxyproline
1(4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylicacid
1(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylicacid
44662394
InChI=1SC32H43NO10c118(34)4332(26(37)174228(39)7627(38)331621(36)1525(33)29(40)41)1310242254191420(35)81130(192)23(22)91231(2432)3h14212536H4131517H213H3(H4041)t21?22?23?24?25?303132m0s1
MFCD03267008
OC1CC(N(C1)C(=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(=O)O
ZINC000253506985
ZINC000253506996

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Available files

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