Vitas-M small molecule compound

ethyl N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate

Catalog ID
STL007485
SMILES CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[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 C33H46N2O6 MW 566.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H46N2O6/c1-5-40-30(38)28(18-21-6-9-24(36)10-7-21)34-29(37)20-41-35-23-12-15-31(2)22(19-23)8-11-25-26(31)13-16-32(3)27(25)14-17-33(32,4)39/h6-7,9-10,19,25-28,36,39H,5,8,11-18,20H2,1-4H3,(H,34,37)/b35-23+/t25-,26?,27?,28?,31+,32+,33+/m1/s1
InChIKey
RRLQCDVGNBTFIN-JLEACLLJSA-N
Synonyms

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CON=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC5(C)O)C)C
CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ethyl2(2(((E)((8R10R13S17S)17hydroxy101317trimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
ethyl3(4hydroxyphenyl)2((2((E)((8R10R13S17S)17hydroxy101317trimethyl267891112141516decahydro1Hcyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoate
ETHYLN(((((3E9XI14XI17BETA)17HYDROXY17METHYLANDROST4EN3YLIDENE)AMINO)OXY)ACETYL)TYROSINATE
InChI=1SC33H46N2O6c154030(38)28(18216924(36)10721)3429(37)20413523121531(2)22(1923)8112526(31)131632(3)27(25)141733(324)39h679101925283639H58111820H214H3(H3437)b3523+t2526?27?28?31+32+33+m1s1
ZINC000070712407
ZINC000253530341

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Available files

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