Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylvaline
Catalog ID
STL528942
SMILES CC(C(C(=O)NC(C(=O)O)C(C)C)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#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 C33H49N3O6 MW 583.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H49N3O6/c1-8-33(41)16-13-25-23-10-9-21-17-22(11-14-31(21,6)24(23)12-15-32(25,33)7)36-42-18-26(37)34-27(19(2)3)29(38)35-28(20(4)5)30(39)40/h1,17,19-20,23-25,27-28,41H,9-16,18H2,2-7H3,(H,34,37)(H,35,38)(H,39,40)/b36-22+/t23?,24?,25?,27?,28?,31-,InChIKey
MUAWGIQFCXPQTA-QVQZQRTFSA-NSynonyms
16398175
2((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)3methylbutanoicacid
2(2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)3methylbutanoicacid
CC(C(C(=O)NC(C(=O)O)C(C)C)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C)C
InChI=1SC33H49N3O6c1833(41)16132523109211722(111431(216)24(23)121532(2533)7)36421826(37)3427(19(2)3)29(38)3528(20(4)5)30(39)40h11719202325272841H91618H227H3(H3437)(H3538)(H3940)b3622+t23?24?25?27?28?313233+m0s1
MFCD03660804
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylvaline
ZINC000070673373
ZINC000253505843
Check stock
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