Vitas-M small molecule compound
N-[2-(4-hydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Catalog ID
STL524383
SMILES O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)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 C31H42N2O4 MW 506.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O4/c1-20(34)26-10-11-27-25-9-6-22-18-23(12-15-30(22,2)28(25)13-16-31(26,27)3)33-37-19-29(36)32-17-14-21-4-7-24(35)8-5-21/h4-5,7-8,18,25-28,35H,6,9-17,19H2,1-3H3,(H,32,36)/b33-23-/t25?,26?,27?,28?,30-,31+/m0/s1InChIKey
KGBLDQMBZWQJJO-PABZITHHSA-NSynonyms
135638940
2((((8S9S10R13S14S17S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(4hydroxyphenethyl)acetamide
2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(4hydroxyphenyl)ethyl)acetamide
InChI=1SC31H42N2O4c120(34)261011272596221823(121530(222)28(25)131631(2627)3)33371929(36)321714214724(35)8521h457818252835H691719H213H3(H3236)b3323t25?26?27?28?3031+m0s1
MFCD02115517
N(2(4hydroxyphenyl)ethyl)2((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetamide
O=C(CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)C)C)C)NCCc1ccc(cc1)O
ZINC000504748289
ZINC001772491533
Check stock
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Check stock on Vitas-MAvailable files
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