Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi,17alpha)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Catalog ID
STL524797
SMILES O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C)NCCc1ccc(cc1)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 C29H40N2O4 MW 480.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O4/c1-28-14-11-21(31-35-18-27(34)30-16-13-19-3-6-22(32)7-4-19)17-20(28)5-8-23-24-9-10-26(33)29(24,2)15-12-25(23)28/h3-4,6-7,17,23-26,32-33H,5,8-16,18H2,1-2H3,(H,30,34)/b31-21-/t23?,24?,25?,26-,28+,29+/m1/s1InChIKey
NTIQDVXBXGAVJL-SKZNITMKSA-NSynonyms
16396697
2((((10R13S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(4hydroxyphenethyl)acetamide
2((((3Z8xi9xi14xi17alpha)17hydroxyandrost4en3ylidene)amino)oxy)N(2(4hydroxyphenyl)ethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(4hydroxyphenyl)ethyl)acetamide
InChI=1SC29H40N2O4c128141121(31351827(34)301613193622(32)7419)1720(28)58232491026(33)29(242)151225(23)28h34671723263233H581618H212H3(H3034)b3121t23?24?25?2628+29+m1s1
MFCD02057893
O=C(CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@H)2O)C)C)NCCc1ccc(cc1)O
ZINC000012659162
ZINC000257372846
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