Vitas-M small molecule compound
4-hydroxy-1-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline
Catalog ID
STL547412
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)N3CC(CC3C(=O)O)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 C28H40N2O9 MW 548.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O9/c1-26-7-5-16(29-39-14-23(35)30-12-17(32)10-20(30)25(36)37)9-15(26)3-4-18-19-6-8-28(38,22(34)13-31)27(19,2)11-21(33)24(18)26/h9,17-21,24,31-33,38H,3-8,10-14H2,1-2H3,(H,36,37)/b29-16+/t17?,18?,19?,20?,21?,24?,26-,27-,28-/m0/s1InChIKey
UYZWVHHKMNPLDX-FFPXGJPISA-NSynonyms
1(2(((E)((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)4hydroxypyrrolidine2carboxylicacid
1(2((~(E))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)4hydroxypyrrolidine2carboxylicacid
16399366
4hydroxy1(((((3E8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)proline
InChI=1SC28H40N2O9c1267516(29391423(35)301217(32)1020(30)25(36)37)915(26)3418196828(3822(34)1331)27(192)1121(33)24(18)26h9172124313338H381014H212H3(H3637)b2916+t17?18?19?20?21?24?262728m0s1
MFCD04143212
OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=NOCC(=O)N3CC(CC3C(=O)O)O)CC(C@)12C
ZINC000252695099
ZINC000253498776
Check stock
See real-time availability and sample size for STL547412 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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