Vitas-M small molecule compound
N-(furan-2-ylmethyl)-2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Catalog ID
STL546688
SMILES O=C(NCc1ccco1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)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 C28H38N2O4 MW 466.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O4/c1-18(31)23-8-9-24-22-7-6-19-15-20(10-12-27(19,2)25(22)11-13-28(23,24)3)30-34-17-26(32)29-16-21-5-4-14-33-21/h4-5,14-15,22-25H,6-13,16-17H2,1-3H3,(H,29,32)/b30-20-/t22?,23?,24?,25?,27-,28+/m0/s1InChIKey
JONQQBBGRRVNNS-DUULJIMRSA-NSynonyms
16399582
2(((Z)((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(furan2ylmethyl)acetamide
2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(furan2ylmethyl)acetamide
InChI=1SC28H38N2O4c118(31)2389242276191520(101227(192)25(22)111328(2324)3)30341726(32)29162154143321h4514152225H6131617H213H3(H2932)b3020t22?23?24?25?2728+m0s1
MFCD02115636
N(furan2ylmethyl)2((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetamide
O=C(NCc1ccco1)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
ZINC000012858681
ZINC000253498666
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