Vitas-M small molecule compound
2-hydroxy-3,3-dimethyl-4-{[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}butanoic acid
Catalog ID
STL540846
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)NCC(C(C(=O)O)O)(C)C)/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 C29H44N2O9 MW 564.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O9/c1-26(2,24(36)25(37)38)15-30-22(35)14-40-31-17-7-9-27(3)16(11-17)5-6-18-19-8-10-29(39,21(34)13-32)28(19,4)12-20(33)23(18)27/h11,18-20,23-24,32-33,36,39H,5-10,12-15H2,1-4H3,(H,30,35)(H,37,38)/b31-17+/t18?,19?,20?,23?,24?,27-,28-,29-/m0/InChIKey
NGECZSLVPXAILM-GRAREAHUSA-NSynonyms
16399323
2hydroxy33dimethyl4((((((3E8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)amino)butanoicacid
4((2((~(E))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)2hydroxy33dimethylbutanoicacid
4(2(((E)((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)2hydroxy33dimethylbutanoicacid
InChI=1SC29H44N2O9c126(224(36)25(37)38)153022(35)144031177927(3)16(1117)56181981029(3921(34)1332)28(194)1220(33)23(18)27h111820232432333639H5101215H214H3(H3035)(H3738)b3117+t18?19?20?23?24?272829m0s1
MFCD04142947
OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=NOCC(=O)NCC(C(C(=O)O)O)(C)C)CC(C@)12C
ZINC000253502247
ZINC000253502262
Check stock
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