Vitas-M small molecule compound

N-{(1Z)-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-3,4-dimethoxybenzamide

Catalog ID
STL445185
SMILES COc1ccc(cc1OC)CCNC(=O)/C(=C/c1cn(c2c1cccc2)S(=O)(=O)N(C)C)/NC(=O)c1ccc(c(c1)OC)OC

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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 C32H36N4O8S MW 636.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N4O8S/c1-35(2)45(39,40)36-20-23(24-9-7-8-10-26(24)36)18-25(34-31(37)22-12-14-28(42-4)30(19-22)44-6)32(38)33-16-15-21-11-13-27(41-3)29(17-21)43-5/h7-14,17-20H,15-16H2,1-6H3,(H,33,38)(H,34,37)/b25-18-
InChIKey
JZEDOPYHTXSOCT-BWAHOGKJSA-N
Synonyms

CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)C=C(C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC(=C(C=C4)OC)OC
COc1ccc(cc1OC)CCNC(=O)C(=Cc1cn(c2c1cccc2)S(=O)(=O)N(C)C)NC(=O)c1ccc(c(c1)OC)OC
InChI=1SC32H36N4O8Sc135(2)45(3940)362023(249781026(24)36)1825(3431(37)22121428(424)30(1922)446)32(38)33161521111327(413)29(1721)435h7141720H1516H216H3(H3338)(H3437)b2518
MFCD06240883
N((1Z)3((2(34dimethoxyphenyl)ethyl)amino)1(1(dimethylsulfamoyl)1Hindol3yl)3oxoprop1en2yl)34dimethoxybenzamide
N((Z)3(2(34dimethoxyphenyl)ethylamino)1(1(dimethylsulfamoyl)indol3yl)3oxoprop1en2yl)34dimethoxybenzamide
ZINC000150348762
ZINC150348762

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Available files

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