Vitas-M small molecule compound
N-(pyridin-4-ylmethyl)-2-({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Catalog ID
STL547852
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCc3ccncc3)/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/c1-27-9-5-20(32-38-17-25(36)31-15-18-7-11-30-12-8-18)13-19(27)3-4-21-22-6-10-29(37,24(35)16-33)28(22,2)14-23(34)26(21)27/h7-8,11-13,21-23,26,33-34,37H,3-6,9-10,14-17H2,1-2H3,(H,31,36)/b32-20-/t21?,22?,23?,26?,27-,28-,29-/m0/s1InChIKey
FRVGSEGYMCIAHB-UDESDKEXSA-NSynonyms
16399966
2(((Z)((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin4ylmethyl)acetamide
InChI=1SC29H39N3O6c1279520(32381725(36)3115187113012818)1319(27)34212261029(3724(35)1633)28(222)1423(34)26(21)27h781113212326333437H369101417H212H3(H3136)b3220t21?22?23?26?272829m0s1
MFCD04146746
N(pyridin4ylmethyl)2((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetamide
OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=NOCC(=O)NCc3ccncc3)CC(C@)12C
ZINC000252693813
ZINC000253498632
Check stock
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Check stock on Vitas-MAvailable files
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