Vitas-M small molecule compound
ethyl 2-({N-(2-ethylphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL388249
SMILES CCOC(=O)c1c(NC(=O)CN(S(=O)(=O)c2ccc(cc2)C)c2ccccc2CC)sc2c1CCCC2
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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 C28H32N2O5S2 MW 540.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5S2/c1-4-20-10-6-8-12-23(20)30(37(33,34)21-16-14-19(3)15-17-21)18-25(31)29-27-26(28(32)35-5-2)22-11-7-9-13-24(22)36-27/h6,8,10,12,14-17H,4-5,7,9,11,13,18H2,1-3H3,(H,29,31)InChIKey
VZUHZEHZIDEGGM-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)S(=O)(=O)C4=CC=C(C=C4)C
ethyl2((2(2ethylN(4methylphenyl)sulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((N(2ethylphenyl)N((4methylphenyl)sulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H32N2O5S2c142010681223(20)30(37(3334)21161419(3)151721)1825(31)292726(28(32)3552)2211791324(22)3627h6810121417H4579111318H213H3(H2931)
MFCD26125836
ZINC000104230079
ZINC104230079
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