Vitas-M small molecule compound
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Catalog ID
STL440648
SMILES COc1ccc2c(c1)c(CCNC(=O)/C(=C/c1cn(c3c1cccc3)S(=O)(=O)N(C)C)/NC(=O)c1ccccc1F)c[nH]2
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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 C31H30FN5O5S MW 603.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FN5O5S/c1-36(2)43(40,41)37-19-21(23-8-5-7-11-29(23)37)16-28(35-30(38)24-9-4-6-10-26(24)32)31(39)33-15-14-20-18-34-27-13-12-22(42-3)17-25(20)27/h4-13,16-19,34H,14-15H2,1-3H3,(H,33,39)(H,35,38)/b28-16-InChIKey
IAEUSATVMCNACF-NTFVMDSBSA-NSynonyms
CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)C=C(C(=O)NCCC3=CNC4=C3C=C(C=C4)OC)NC(=O)C5=CC=CC=C5F
COc1ccc2c(c1)c(CCNC(=O)C(=Cc1cn(c3c1cccc3)S(=O)(=O)N(C)C)NC(=O)c1ccccc1F)c(nH)2
InChI=1SC31H30FN5O5Sc136(2)43(4041)371921(238571129(23)37)1628(3530(38)249461026(24)32)31(39)33151420183427131222(423)1725(20)27h413161934H1415H213H3(H3339)(H3538)b2816
MFCD07756624
N((1Z)1(1(dimethylsulfamoyl)1Hindol3yl)3((2(5methoxy1Hindol3yl)ethyl)amino)3oxoprop1en2yl)2fluorobenzamide
N((Z)1(1(dimethylsulfamoyl)indol3yl)3(2(5methoxy1Hindol3yl)ethylamino)3oxoprop1en2yl)2fluorobenzamide
ZINC000008757771
ZINC8757771
Check stock
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Check stock on Vitas-MAvailable files
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