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Vitas-M small molecule compound

17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-[(4-fluorobenzyl)amino]-4-oxobutanoate

Catalog ID
STL542577
SMILES O=C(OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCc1ccc(cc1)F

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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 C32H40FNO6 MW 553.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40FNO6/c1-30-14-11-23(35)17-21(30)5-8-24-25(30)12-15-31(2)26(24)13-16-32(31,39)27(36)19-40-29(38)10-9-28(37)34-18-20-3-6-22(33)7-4-20/h3-4,6-7,17,24-26,39H,5,8-16,18-19H2,1-2H3,(H,34,37)/t24-,25+,26+,30+,31+,32+/m1/s1
InChIKey
OBUVKXAZXZBFED-CFRHILBGSA-N
Synonyms
1041426-52-1
(2((8~(R)9~(S)10~(R)13~(S)14~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((4fluorophenyl)methylamino)4oxobutanoate
1041426521
16402918
17hydroxy320dioxopregn4en21yl4((4fluorobenzyl)amino)4oxobutanoate
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((4fluorobenzyl)amino)4oxobutanoate
InChI=1SC32H40FNO6c130141123(35)1721(30)582425(30)121531(2)26(24)131632(3139)27(36)194029(38)10928(37)3418203622(33)7420h346717242639H58161819H212H3(H3437)t2425+26+30+31+32+m1s1
MFCD06494688
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCc1ccc(cc1)F
ZINC000070697236
ZINC70697236

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Available files

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