Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylisoleucine
Catalog ID
STL529034
SMILES CCC(C(C(=O)O)NC(=O)C(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 C34H51N3O6 MW 597.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H51N3O6/c1-8-21(5)29(31(40)41)36-30(39)28(20(3)4)35-27(38)19-43-37-23-12-15-32(6)22(18-23)10-11-24-25(32)13-16-33(7)26(24)14-17-34(33,42)9-2/h2,18,20-21,24-26,28-29,42H,8,10-17,19H2,1,3-7H3,(H,35,38)(H,36,39)(H,40,41)/b37-23+/t21?,24?,25?,26?,InChIKey
VLQKMOAVVQSJIR-NNECEKCCSA-NSynonyms
16398172
2((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)3methylpentanoicacid
2(2(2(((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)3methylpentanoicacid
CCC(C(C(=O)O)NC(=O)C(C(C)C)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C)C
InChI=1SC34H51N3O6c1821(5)29(31(40)41)3630(39)28(20(3)4)3527(38)19433723121532(6)22(1823)10112425(32)131633(7)26(24)141734(3342)92h21820212426282942H8101719H2137H3(H3538)(H3639)(H4041)b3723+t21?24?25?26?28?29?323334+m0s1
MFCD03660770
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylisoleucine
ZINC000253506508
ZINC000253506520
Check stock
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