Vitas-M small molecule compound
ethyl 2-({N-[(4-ethoxyphenyl)sulfonyl]-N-phenylglycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK098980
SMILES CCOc1ccc(cc1)S(=O)(=O)N(c1ccccc1)CC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
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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 C27H30N2O6S2 MW 542.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6S2/c1-3-34-20-14-16-21(17-15-20)37(32,33)29(19-10-6-5-7-11-19)18-24(30)28-26-25(27(31)35-4-2)22-12-8-9-13-23(22)36-26/h5-7,10-11,14-17H,3-4,8-9,12-13,18H2,1-2H3,(H,28,30)InChIKey
MGJZBPPLQBSIFK-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC=CC=C4
CCOc1ccc(cc1)S(=O)(=O)N(c1ccccc1)CC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
ethyl2((2(N(4ethoxyphenyl)sulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((N((4ethoxyphenyl)sulfonyl)Nphenylglycyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H30N2O6S2c133420141621(171520)37(3233)29(19106571119)1824(30)282625(27(31)3542)2212891323(22)3626h5710111417H3489121318H212H3(H2830)
MFCD04126658
STK098980
ZINC000059651710
ZINC59651710
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