Vitas-M small molecule compound
5-[(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]pentanoic acid
Catalog ID
STL526985
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCCCC(=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 C30H43NO9 MW 561.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H43NO9/c1-28-12-10-19(32)15-18(28)6-7-20-21-11-13-30(39,29(21,2)16-22(33)27(20)28)23(34)17-40-26(38)9-8-24(35)31-14-4-3-5-25(36)37/h15,20-22,27,33,39H,3-14,16-17H2,1-2H3,(H,31,35)(H,36,37)/t20?,21?,22-,27?,28-,29-,30-/m0/s1InChIKey
CWHCNVXQPZJHLP-SHPXHFPCSA-NSynonyms
44663551
5((4(((8xi9xi11beta14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)pentanoicacid
5((4(2((10~(R)11~(S)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)pentanoicacid
5(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)pentanoicacid
InChI=1SC30H43NO9c128121019(32)1518(28)672021111330(3929(212)1622(33)27(20)28)23(34)174026(38)9824(35)311443525(36)37h152022273339H3141617H212H3(H3135)(H3637)t20?21?2227?282930m0s1
MFCD03005923
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCCCC(=O)O
ZINC000253503053
ZINC000253503060
Check stock
See real-time availability and sample size for STL526985 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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