Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)alanine
Catalog ID
STL564990
SMILES O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)NC(C(=O)O)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 C30H41NO9 MW 559.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO9/c1-17(27(37)38)31-25(35)7-8-26(36)39-16-24(34)30(40-18(2)32)14-11-23-21-6-5-19-15-20(33)9-12-28(19,3)22(21)10-13-29(23,30)4/h15,17,21-23H,5-14,16H2,1-4H3,(H,31,35)(H,37,38)/t17?,21?,22?,23?,28-,29-,30-/m0/s1InChIKey
MFOLAQXDHNHVHI-RLCVUSCOSA-NSynonyms
2((4(2((10R13S17R)17acetyloxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoicacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanoicacid
44666682
InChI=1SC30H41NO9c117(27(37)38)3125(35)7826(36)391624(34)30(4018(2)32)1411232165191520(33)91228(193)22(21)101329(2330)4h15172123H51416H214H3(H3135)(H3738)t17?21?22?23?282930m0s1
N(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)alanine
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)NC(C(=O)O)C
ZINC000253502218
ZINC000253502232
Check stock
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Check stock on Vitas-MAvailable files
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