Vitas-M small molecule compound
3-(2-{[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}ethyl)-5-methoxy-1H-indole-2-carboxylic acid
Catalog ID
STL529429
SMILES COc1ccc2c(c1)c(CCNC(=O)CO/N=C/1\C=C[C@]3(C(=C1)CCC1C3CC[C@]3(C1CC[C@]3(C)O)C)C)c([nH]2)C(=O)O
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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 C34H43N3O6 MW 589.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43N3O6/c1-32-13-9-21(17-20(32)5-7-24-26(32)10-14-33(2)27(24)11-15-34(33,3)41)37-43-19-29(38)35-16-12-23-25-18-22(42-4)6-8-28(25)36-30(23)31(39)40/h6,8-9,13,17-18,24,26-27,36,41H,5,7,10-12,14-16,19H2,1-4H3,(H,35,38)(H,39,40)/b37-21+/t24?,26?,2InChIKey
OAYWHZMJOWQING-AOJLOHLLSA-NSynonyms
16403691
3(2((((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)amino)ethyl)5methoxy1Hindole2carboxylicacid
3(2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)ethyl)5methoxy1~(H)indole2carboxylicacid
3(2(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)ethyl)5methoxy1Hindole2carboxylicacid
COc1ccc2c(c1)c(CCNC(=O)CON=C1C=C(C@)3(C(=C1)CCC1C3CC(C@)3(C1CC(C@)3(C)O)C)C)c((nH)2)C(=O)O
InChI=1SC34H43N3O6c13213921(1720(32)572426(32)101433(2)27(24)111534(333)41)37431929(38)35161223251822(424)6828(25)3630(23)31(39)40h6891317182426273641H571012141619H214H3(H3538)(H3940)b3721+t24?26?27?323334m0s1
MFCD05736074
ZINC000070699187
ZINC000253505929
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