Vitas-M small molecule compound
methyl 4-hydroxy-1-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]prolinate
Catalog ID
STL537830
SMILES COC(=O)C1CC(CN1C(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)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 C29H40N2O6 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O6/c1-5-29(35)13-10-23-21-7-6-18-14-19(8-11-27(18,2)22(21)9-12-28(23,29)3)30-37-17-25(33)31-16-20(32)15-24(31)26(34)36-4/h1,14,20-24,32,35H,6-13,15-17H2,2-4H3/b30-19-/t20?,21?,22?,23?,24?,27-,28-,29+/m0/s1InChIKey
KWFXBLQFMPZAOR-IAVQDZLBSA-NSynonyms
16399374
COC(=O)C1CC(CN1C(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C)O
InChI=1SC29H40N2O6c1529(35)1310232176181419(81127(182)22(21)91228(2329)3)30371725(33)311620(32)1524(31)26(34)364h11420243235H6131517H224H3b3019t20?21?22?23?24?272829+m0s1
methyl1(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)4hydroxypyrrolidine2carboxylate
methyl1(2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)4hydroxypyrrolidine2carboxylate
methyl4hydroxy1(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)prolinate
MFCD01880817
ZINC000008917698
ZINC000253498692
Check stock
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Check stock on Vitas-MAvailable files
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