Vitas-M small molecule compound
methyl 2-({N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK122537
SMILES COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)C)CC(=O)Nc1sc2c(c1C(=O)OC)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 C27H30N2O7S2 MW 558.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7S2/c1-17-9-11-18(12-10-17)29(38(32,33)19-13-14-21(34-2)22(15-19)35-3)16-24(30)28-26-25(27(31)36-4)20-7-5-6-8-23(20)37-26/h9-15H,5-8,16H2,1-4H3,(H,28,30)InChIKey
FTMSWULXHATBHY-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C4=CC(=C(C=C4)OC)OC
InChI=1SC27H30N2O7S2c11791118(121017)29(38(3233)19131421(342)22(1519)353)1624(30)282625(27(31)364)20756823(20)3726h915H5816H214H3(H2830)
methyl2((2(N(34dimethoxyphenyl)sulfonyl4methylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((N((34dimethoxyphenyl)sulfonyl)N(4methylphenyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04128687
ZINC000059651481
ZINC59651481
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