Vitas-M small molecule compound
N-(pyridin-2-ylmethyl)-2-({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Catalog ID
STL526897
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCc3ccccn3)/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 C29H39N3O6 MW 525.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O6/c1-27-10-8-19(32-38-17-25(36)31-15-20-5-3-4-12-30-20)13-18(27)6-7-21-22-9-11-29(37,24(35)16-33)28(22,2)14-23(34)26(21)27/h3-5,12-13,21-23,26,33-34,37H,6-11,14-17H2,1-2H3,(H,31,36)/b32-19-/t21?,22?,23?,26?,27-,28-,29-/m0/s1InChIKey
FXKBKGGAPRRXSX-KFLDLDIBSA-NSynonyms
135639205
2((((8S9S10R11S13S14S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin2ylmethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin2ylmethyl)acetamide
InChI=1SC29H39N3O6c12710819(32381725(36)311520534123020)1318(27)67212291129(3724(35)1633)28(222)1423(34)26(21)27h351213212326333437H6111417H212H3(H3136)b3219t21?22?23?26?272829m0s1
MFCD03265928
N(pyridin2ylmethyl)2((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetamide
OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCc3ccccn3)CC(C@)12C
ZINC001772492406
ZINC001772492409
Check stock
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