Vitas-M small molecule compound
2-({[(3E,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-(1-phenylethyl)acetamide
Catalog ID
STL003660
SMILES CC(c1ccccc1)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@@]2(O)C#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 C31H40N2O3 MW 488.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O3/c1-5-31(35)18-15-27-25-12-11-23-19-24(13-16-29(23,3)26(25)14-17-30(27,31)4)33-36-20-28(34)32-21(2)22-9-7-6-8-10-22/h1,6-10,19,21,25-27,35H,11-18,20H2,2-4H3,(H,32,34)/b33-24+/t21?,25-,26?,27?,29+,30+,31+/m1/s1InChIKey
HLOVBOMRFHSFEN-UTMBDJMHSA-NSynonyms
2((((3E9XI14XI17ALPHA)17HYDROXYPREGN4EN20YN3YLIDENE)AMINO)OXY)N(1PHENYLETHYL)ACETAMIDE
2(((E)((8R9S10R13S14S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(1phenylethyl)acetamide
2((E)((8R10R13S17R)17ethynyl17hydroxy1013dimethyl267891112141516decahydro1Hcyclopenta(a)phenanthren3ylidene)amino)oxyN(1phenylethyl)acetamide
CC(C1=CC=CC=C1)NC(=O)CON=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC5(C#C)O)C)C
CC(c1ccccc1)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@)2(O)C#C)C)C
CC(c1ccccc1)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1C2CC(C@)2(C1CC(C@@)2(O)C#C)C)C
InChI=1SC31H40N2O3c1531(35)181527251211231924(131629(233)26(25)141730(2731)4)33362028(34)3221(2)2297681022h16101921252735H111820H224H3(H3234)b3324+t21?2526?27?29+30+31+m1s1
ZINC000051347563
ZINC000051347571
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