Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tryptophan
Catalog ID
STL528855
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)Cc3c[nH]c4c3cccc4)/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 C34H41N3O5 MW 571.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O5/c1-4-34(41)16-13-27-25-10-9-22-18-23(11-14-32(22,2)26(25)12-15-33(27,34)3)37-42-20-30(38)36-29(31(39)40)17-21-19-35-28-8-6-5-7-24(21)28/h1,5-8,18-19,25-27,29,35,41H,9-17,20H2,2-3H3,(H,36,38)(H,39,40)/b37-23+/t25?,26?,27?,29?,32-,33-,34InChIKey
BGBWJCDYVIPQIF-IDYFBIAPSA-NSynonyms
2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoicacid
2(2(((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoicacid
44662499
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)O)Cc3c(nH)c4c3cccc4)CC(C@)12C
InChI=1SC34H41N3O5c1434(41)16132725109221823(111432(222)26(25)121533(2734)3)37422030(38)3629(31(39)40)1721193528865724(21)28h15818192527293541H91720H223H3(H3638)(H3940)b3723+t25?26?27?29?323334+m0s1
MFCD05733204
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)tryptophan
ZINC000253504222
ZINC000253504247
Check stock
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