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}-2-fluorobenzamide
Catalog ID
STL483039
SMILES COc1ccc(cc1OC)CCNC(=O)/C(=C/c1cn(c2c1cccc2)S(=O)(=O)N(C)C)/NC(=O)c1ccccc1F
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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 C30H31FN4O6S MW 594.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31FN4O6S/c1-34(2)42(38,39)35-19-21(22-9-6-8-12-26(22)35)18-25(33-29(36)23-10-5-7-11-24(23)31)30(37)32-16-15-20-13-14-27(40-3)28(17-20)41-4/h5-14,17-19H,15-16H2,1-4H3,(H,32,37)(H,33,36)/b25-18-InChIKey
PIAXZMMDNUEMJY-BWAHOGKJSA-NSynonyms
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=CC=C4F
COc1ccc(cc1OC)CCNC(=O)C(=Cc1cn(c2c1cccc2)S(=O)(=O)N(C)C)NC(=O)c1ccccc1F
InChI=1SC30H31FN4O6Sc134(2)42(3839)351921(229681226(22)35)1825(3329(36)2310571124(23)31)30(37)32161520131427(403)28(1720)414h5141719H1516H214H3(H3237)(H3336)b2518
MFCD06240897
N((1Z)3((2(34dimethoxyphenyl)ethyl)amino)1(1(dimethylsulfamoyl)1Hindol3yl)3oxoprop1en2yl)2fluorobenzamide
N((Z)3(2(34dimethoxyphenyl)ethylamino)1(1(dimethylsulfamoyl)indol3yl)3oxoprop1en2yl)2fluorobenzamide
ZINC000008766788
ZINC8766788
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