Vitas-M small molecule compound
methyl N-[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalaninate
Catalog ID
STL528961
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)C)C
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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 C33H44N2O8 MW 596.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O8/c1-31-13-11-22(35-43-19-28(39)34-25(30(40)42-3)15-20-7-5-4-6-8-20)16-21(31)9-10-23-24-12-14-33(41,27(38)18-36)32(24,2)17-26(37)29(23)31/h4-8,16,23-26,29,36-37,41H,9-15,17-19H2,1-3H3,(H,34,39)/b35-22-/t23?,24?,25?,26?,29?,31-,32-,33-/m0InChIKey
WKOIITGIIRRQGT-SSUWWKFCSA-NSynonyms
44662652
COC(=O)C(Cc1ccccc1)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2(C@@H)(O)C(C@)2((C@H)1CC(C@)2(O)C(=O)CO)C)C
InChI=1SC33H44N2O8c131131122(35431928(39)3425(30(40)423)15207546820)1621(31)9102324121433(4127(38)1836)32(242)1726(37)29(23)31h4816232629363741H9151719H213H3(H3439)b3522t23?24?25?26?29?313233m0s1
methyl2((2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoate
methyl2(2((((8S9S10R11S13S14S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylpropanoate
methylN(((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)phenylalaninate
MFCD02057001
ZINC000253506629
ZINC000253506648
Check stock
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