Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi,17beta)-11,17-dihydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]tryptophanate
Catalog ID
STL529057
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(C)O)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 C34H45N3O6 MW 591.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N3O6/c1-32-13-11-22(16-21(32)9-10-24-25-12-14-34(3,41)33(25,2)17-28(38)30(24)32)37-43-19-29(39)36-27(31(40)42-4)15-20-18-35-26-8-6-5-7-23(20)26/h5-8,16,18,24-25,27-28,30,35,38,41H,9-15,17,19H2,1-4H3,(H,36,39)/b37-22+/t24?,25?,27?,28?,30?,32InChIKey
SPTOLOJYYBEELD-GYFCTXJBSA-NSynonyms
44662414
InChI=1SC34H45N3O6c132131122(1621(32)9102425121434(341)33(252)1728(38)30(24)32)37431929(39)3627(31(40)424)1520183526865723(20)26h5816182425272830353841H9151719H214H3(H3639)b3722+t24?25?27?28?30?323334m0s1
methyl2((2((~(E))((10~(R)13~(S)17~(S))1117dihydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)indol3yl)propanoate
methylN(((((3E8xi9xi14xi17beta)1117dihydroxy17methylandrost4en3ylidene)amino)oxy)acetyl)tryptophanate
MFCD05732720
ZINC000253506302
ZINC000253506316
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