Vitas-M small molecule compound

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

Catalog ID
STL527272
SMILES O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)N1CCCC1C(=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 C32H43NO9 MW 585.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43NO9/c1-19(34)42-32(26(36)18-41-28(38)9-8-27(37)33-16-4-5-25(33)29(39)40)15-12-24-22-7-6-20-17-21(35)10-13-30(20,2)23(22)11-14-31(24,32)3/h17,22-25H,4-16,18H2,1-3H3,(H,39,40)/t22?,23?,24?,25?,30-,31-,32-/m0/s1
InChIKey
GRBXJLPCVRSXPY-SERSOKSZSA-N
Synonyms

1(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)proline
1(4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylicacid
1(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)pyrrolidine2carboxylicacid
44661097
InChI=1SC32H43NO9c119(34)4232(26(36)184128(38)9827(37)33164525(33)29(39)40)1512242276201721(35)101330(202)23(22)111431(2432)3h172225H41618H213H3(H3940)t22?23?24?25?303132m0s1
MFCD03266505
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)N1CCCC1C(=O)O
ZINC000253487210
ZINC000257360778

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Available files

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