Vitas-M small molecule compound

N-(2,4-dimethoxyphenyl)-2-[(2-fluorobenzyl)(formyl)amino]-1,2,3,4,4a,9,9a,10-octahydroanthracene-2-carboxamide

Catalog ID
STL439312
SMILES COc1ccc(c(c1)OC)NC(=O)C1(CCC2C(C1)Cc1c(C2)cccc1)N(Cc1ccccc1F)C=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 C31H33FN2O4 MW 516.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33FN2O4/c1-37-26-11-12-28(29(17-26)38-2)33-30(36)31(34(20-35)19-24-9-5-6-10-27(24)32)14-13-23-15-21-7-3-4-8-22(21)16-25(23)18-31/h3-12,17,20,23,25H,13-16,18-19H2,1-2H3,(H,33,36)
InChIKey
YYEIMJSSPLCCEM-UHFFFAOYSA-N
Synonyms

COC1=CC(=C(C=C1)NC(=O)C2(CCC3CC4=CC=CC=C4CC3C2)N(CC5=CC=CC=C5F)C=O)OC
InChI=1SC31H33FN2O4c13726111228(29(1726)382)3330(36)31(34(2035)19249561027(24)32)1413231521734822(21)1625(23)1831h31217202325H13161819H212H3(H3336)
MFCD29709718
N(24dimethoxyphenyl)2((2fluorobenzyl)(formyl)amino)12344a99a10octahydroanthracene2carboxamide
N(24DIMETHOXYPHENYL)2((2FLUOROPHENYL)METHYLFORMYLAMINO)344A99A10HEXAHYDRO1HANTHRACENE2CARBOXAMIDE
ZINC000001410286
ZINC000254499602

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Available files

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