Vitas-M small molecule compound
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Catalog ID
STL445181
SMILES COc1ccc(cc1)C(=O)N/C(=C\c1cn(c2c1cccc2)S(=O)(=O)N(C)C)/C(=O)NCCN1CCOCC1
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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 C27H33N5O6S MW 555.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O6S/c1-30(2)39(35,36)32-19-21(23-6-4-5-7-25(23)32)18-24(27(34)28-12-13-31-14-16-38-17-15-31)29-26(33)20-8-10-22(37-3)11-9-20/h4-11,18-19H,12-17H2,1-3H3,(H,28,34)(H,29,33)/b24-18-InChIKey
PMQBOONYAJBKNR-MOHJPFBDSA-NSynonyms
CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)C=C(C(=O)NCCN3CCOCC3)NC(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)NC(=Cc1cn(c2c1cccc2)S(=O)(=O)N(C)C)C(=O)NCCN1CCOCC1
InChI=1SC27H33N5O6Sc130(2)39(3536)321921(23645725(23)32)1824(27(34)28121331141638171531)2926(33)2081022(373)11920h4111819H1217H213H3(H2834)(H2933)b2418
MFCD06240889
N((1Z)1(1(dimethylsulfamoyl)1Hindol3yl)3((2(morpholin4yl)ethyl)amino)3oxoprop1en2yl)4methoxybenzamide
N((Z)1(1(dimethylsulfamoyl)indol3yl)3(2morpholin4ylethylamino)3oxoprop1en2yl)4methoxybenzamide
ZINC000038152817
ZINC38152817
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