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]-3,4-dimethoxybenzamide
Catalog ID
STL483045
SMILES COc1cc(ccc1OC)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 C28H35N5O7S MW 585.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N5O7S/c1-31(2)41(36,37)33-19-21(22-7-5-6-8-24(22)33)17-23(28(35)29-11-12-32-13-15-40-16-14-32)30-27(34)20-9-10-25(38-3)26(18-20)39-4/h5-10,17-19H,11-16H2,1-4H3,(H,29,35)(H,30,34)/b23-17-InChIKey
SETSEABWUPBDRG-QJOMJCCJSA-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)OC
COc1cc(ccc1OC)C(=O)NC(=Cc1cn(c2c1cccc2)S(=O)(=O)N(C)C)C(=O)NCCN1CCOCC1
InChI=1SC28H35N5O7Sc131(2)41(3637)331921(22756824(22)33)1723(28(35)29111232131540161432)3027(34)2091025(383)26(1820)394h5101719H1116H214H3(H2935)(H3034)b2317
MFCD06240893
N((1Z)1(1(dimethylsulfamoyl)1Hindol3yl)3((2(morpholin4yl)ethyl)amino)3oxoprop1en2yl)34dimethoxybenzamide
N((Z)1(1(dimethylsulfamoyl)indol3yl)3(2morpholin4ylethylamino)3oxoprop1en2yl)34dimethoxybenzamide
ZINC000035973840
ZINC35973840
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