Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-2-ylmethyl)acetamide
Catalog ID
STL526072
SMILES O=C(NCc1ccccn1)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 C29H39N3O3 MW 477.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O3/c1-19(33)24-9-10-25-23-8-7-20-16-21(11-13-28(20,2)26(23)12-14-29(24,25)3)32-35-18-27(34)31-17-22-6-4-5-15-30-22/h4-6,15-16,23-26H,7-14,17-18H2,1-3H3,(H,31,34)/b32-21-/t23?,24?,25?,26?,28-,29+/m0/s1InChIKey
TXJDQLXYLPFIEE-OMSUFJCQSA-NSynonyms
135639119
2((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)N(pyridin2ylmethyl)acetamide
2((((8S9S10R13S14S17S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin2ylmethyl)acetamide
2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin2ylmethyl)acetamide
InChI=1SC29H39N3O3c119(33)24910252387201621(111328(202)26(23)121429(2425)3)32351827(34)311722645153022h4615162326H7141718H213H3(H3134)b3221t23?24?25?26?2829+m0s1
MFCD02925424
O=C(NCc1ccccn1)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
ZINC000514290464
ZINC001772492093
Check stock
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