Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi,17alpha)-11,17-dihydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-6-hydroxytryptophan
Catalog ID
STL529356
SMILES C#C[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)Cc3c[nH]c4c3ccc(c4)O)/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 C34H41N3O7 MW 603.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O7/c1-4-34(43)12-10-25-24-7-5-20-14-21(9-11-32(20,2)30(24)28(39)16-33(25,34)3)37-44-18-29(40)36-27(31(41)42)13-19-17-35-26-15-22(38)6-8-23(19)26/h1,6,8,14-15,17,24-25,27-28,30,35,38-39,43H,5,7,9-13,16,18H2,2-3H3,(H,36,40)(H,41,42)/b37-21+InChIKey
XBTXBBSBVZSQOF-NVVXDQMDSA-NSynonyms
2((2((~(E))((10~(R)13~(S)17~(R))17ethynyl1117dihydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(6hydroxy1~(H)indol3yl)propanoicacid
44662640
InChI=1SC34H41N3O7c1434(43)1210252475201421(91132(202)30(24)28(39)1633(2534)3)37441829(40)3627(31(41)42)13191735261522(38)6823(19)26h168141517242527283035383943H579131618H223H3(H3640)(H4142)b3721+t24?25?27?28?30?323334m0s1
MFCD05734074
N(((((3E8xi9xi14xi17alpha)1117dihydroxypregn4en20yn3ylidene)amino)oxy)acetyl)6hydroxytryptophan
ZINC000253506739
ZINC000253506750
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