Vitas-M small molecule compound
ethyl 2-{[3-({[4-(acetylamino)phenyl]sulfonyl}amino)quinoxalin-2-yl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK540341
SMILES CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(cc2)NC(=O)C)sc2c1CCC(C2)c1ccccc1
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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 C33H31N5O5S2 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O5S2/c1-3-43-33(40)29-25-18-13-22(21-9-5-4-6-10-21)19-28(25)44-32(29)37-30-31(36-27-12-8-7-11-26(27)35-30)38-45(41,42)24-16-14-23(15-17-24)34-20(2)39/h4-12,14-17,22H,3,13,18-19H2,1-2H3,(H,34,39)(H,35,37)(H,36,38)InChIKey
HBPGBQPNEXGNOU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC4=NC5=CC=CC=C5N=C4NS(=O)(=O)C6=CC=C(C=C6)NC(=O)C
ethyl2((3(((4(acetylamino)phenyl)sulfonyl)amino)quinoxalin2yl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((3((4acetamidophenyl)sulfonylamino)quinoxalin2yl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((3(4acetamidophenylsulfonamido)quinoxalin2yl)amino)6phenyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC33H31N5O5S2c134333(40)2925181322(2195461021)1928(25)4432(29)373031(362712871126(27)3530)3845(4142)24161423(151724)3420(2)39h412141722H3131819H212H3(H3439)(H3537)(H3638)
MFCD03007495
ZINC000150422031
ZINC000150422035
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