Vitas-M small molecule compound
4-{[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]methyl}benzoic acid
Catalog ID
STL528032
SMILES O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C33H41NO8 MW 579.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO8/c1-31-14-11-23(35)17-22(31)7-8-24-25(31)12-15-32(2)26(24)13-16-33(32,41)27(36)19-42-29(38)10-9-28(37)34-18-20-3-5-21(6-4-20)30(39)40/h3-6,17,24-26,41H,7-16,18-19H2,1-2H3,(H,34,37)(H,39,40)/t24?,25?,26?,31-,32-,33-/m0/s1InChIKey
AYYDQAXFDKMKKS-OWPKHJTHSA-NSynonyms
4(((4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)methyl)benzoicacid
4(((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)methyl)benzoicacid
4((4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)methyl)benzoicacid
44664778
InChI=1SC33H41NO8c131141123(35)1722(31)782425(31)121532(2)26(24)131633(3241)27(36)194229(38)10928(37)3418203521(6420)30(39)40h3617242641H7161819H212H3(H3437)(H3940)t24?25?26?313233m0s1
MFCD03850041
O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253502249
ZINC000253502256
Check stock
See real-time availability and sample size for STL528032 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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