Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylleucine
Catalog ID
STL529343
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(C)C)/CC[C@]12C
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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/c1-8-34(42)16-13-26-24-10-9-22-18-23(11-14-32(22,6)25(24)12-15-33(26,34)7)37-43-19-28(38)36-29(21(4)5)30(39)35-27(31(40)41)17-20(2)3/h1,18,20-21,24-27,29,42H,9-17,19H2,2-7H3,(H,35,39)(H,36,38)(H,40,41)/b37-23+/t24?,25?,26?,27?,29?,32-,InChIKey
BKHSYWHGMBELFG-OWFQKZJTSA-NSynonyms
16398170
2((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)4methylpentanoicacid
2(2(2(((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)4methylpentanoicacid
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(C)C)CC(C@)12C
InChI=1SC34H51N3O6c1834(42)16132624109221823(111432(226)25(24)121533(2634)7)37431928(38)3629(21(4)5)30(39)3527(31(40)41)1720(2)3h118202124272942H91719H227H3(H3539)(H3638)(H4041)b3723+t24?25?26?27?29?323334+m0s1
MFCD03660750
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylleucine
ZINC000070673344
ZINC000253504258
Check stock
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