Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Catalog ID
STL528945
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=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 C34H43N3O8 MW 621.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43N3O8/c1-32-11-9-21(37-45-18-29(41)36-26(31(42)43)13-19-16-35-25-6-4-3-5-22(19)25)14-20(32)7-8-23-24-10-12-34(44,28(40)17-38)33(24,2)15-27(39)30(23)32/h3-6,14,16,23-24,26-27,30,35,38-39,44H,7-13,15,17-18H2,1-2H3,(H,36,41)(H,42,43)/b37-21+/t2InChIKey
KLXRCIONDXDWCO-JGXPTPAQSA-NSynonyms
16403820
2((2((~(E))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoicacid
2(2(((E)((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Hindol3yl)propanoicacid
InChI=1SC34H43N3O8c13211921(37451829(41)3626(31(42)43)1319163525643522(19)25)1420(32)782324101234(4428(40)1738)33(242)1527(39)30(23)32h361416232426273035383944H713151718H212H3(H3641)(H4243)b3721+t23?24?26?27?30?323334m0s1
MFCD05738688
N(((((3E8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)tryptophan
OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=NOCC(=O)NC(C(=O)O)Cc3c(nH)c4c3cccc4)CC(C@)12C
ZINC000253503245
ZINC000253503309
Check stock
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