Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-(pyridin-4-ylmethyl)acetamide
Catalog ID
STL540562
SMILES OC1CCC2[C@]1(C)CCC1C2CCC2=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 C27H37N3O3 MW 451.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37N3O3/c1-26-11-7-20(30-33-17-25(32)29-16-18-9-13-28-14-10-18)15-19(26)3-4-21-22-5-6-24(31)27(22,2)12-8-23(21)26/h9-10,13-15,21-24,31H,3-8,11-12,16-17H2,1-2H3,(H,29,32)/b30-20-/t21?,22?,23?,24?,26-,27-/m0/s1InChIKey
IMDXPIWXMDFASW-BKQHLPELSA-NSynonyms
2((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2(((Z)((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin4ylmethyl)acetamide
42648562
InChI=1SC27H37N3O3c12611720(30331725(32)29161891328141018)1519(26)3421225624(31)27(222)12823(21)26h9101315212431H3811121617H212H3(H2932)b3020t21?22?23?24?2627m0s1
MFCD02925708
OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NCc3ccncc3)CC(C@)12C
ZINC000012296256
ZINC000257198800
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