Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-[2-(1H-imidazol-4-yl)ethyl]acetamide
Catalog ID
STL524468
SMILES C[C@@]12CC/C(=N/OCC(=O)NCCc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CCC1O)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 C26H38N4O3 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N4O3/c1-25-10-7-18(30-33-15-24(32)28-12-9-19-14-27-16-29-19)13-17(25)3-4-20-21-5-6-23(31)26(21,2)11-8-22(20)25/h13-14,16,20-23,31H,3-12,15H2,1-2H3,(H,27,29)(H,28,32)/b30-18-/t20?,21?,22?,23?,25-,26-/m0/s1InChIKey
JCZWRYDTPWMMKC-GNBLUZQOSA-NSynonyms
16396481
2((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)N(2(1Himidazol4yl)ethyl)acetamide
2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(1~(H)imidazol5yl)ethyl)acetamide
C(C@@)12CCC(=NOCC(=O)NCCc3c(nH)cn3)C=C2CCC2C1CC(C@)1(C2CCC1O)C
InChI=1SC26H38N4O3c12510718(30331524(32)28129191427162919)1317(25)3420215623(31)26(212)11822(20)25h131416202331H31215H212H3(H2729)(H2832)b3018t20?21?22?23?2526m0s1
MFCD01881158
N(2(1Himidazol4yl)ethyl)2(((Z)((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamide
ZINC000008740271
ZINC000253499538
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