Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-({[6-bromo-3-(ethoxycarbonyl)-1-methyl-2-(phenoxymethyl)-1H-indol-5-yl]oxy}methyl)-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK374195
SMILES CCOC(=O)c1c2cc(OCc3n(C)c4c(c3C(=O)OCC)cc(c(c4)Br)OC(=O)C)c(cc2n(c1COc1ccccc1)C)Br
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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 C34H32Br2N2O8 MW 756.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32Br2N2O8/c1-6-42-33(40)31-21-13-29(23(35)15-25(21)37(4)27(31)17-44-20-11-9-8-10-12-20)45-18-28-32(34(41)43-7-2)22-14-30(46-19(3)39)24(36)16-26(22)38(28)5/h8-16H,6-7,17-18H2,1-5H3InChIKey
RQDLDLCDFVTWJP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC3=C(C4=CC(=C(C=C4N3C)Br)OC(=O)C)C(=O)OCC)Br)C)COC5=CC=CC=C5
ETHYL5((5ACETYLOXY6BROMO3ETHOXYCARBONYL1METHYLINDOL2YL)METHOXY)6BROMO1METHYL2(PHENOXYMETHYL)INDOLE3CARBOXYLATE
ethyl5(acetyloxy)6bromo2(((6bromo3(ethoxycarbonyl)1methyl2(phenoxymethyl)1Hindol5yl)oxy)methyl)1methyl1Hindole3carboxylate
InChI=1SC34H32Br2N2O8c164233(40)31211329(23(35)1525(21)37(4)27(31)1744201198101220)45182832(34(41)4372)221430(4619(3)39)24(36)1626(22)38(28)5h816H671718H215H3
MFCD00849194
ZINC000150393096
ZINC150393096
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