Vitas-M small molecule compound
methyl 2-{[N-(4-ethoxyphenyl)-N-(phenylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK121204
SMILES CCOc1ccc(cc1)N(S(=O)(=O)c1ccccc1)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 C26H28N2O6S2 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O6S2/c1-3-34-19-15-13-18(14-16-19)28(36(31,32)20-9-5-4-6-10-20)17-23(29)27-25-24(26(30)33-2)21-11-7-8-12-22(21)35-25/h4-6,9-10,13-16H,3,7-8,11-12,17H2,1-2H3,(H,27,29)InChIKey
LTQXHPWHRABBCV-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C4=CC=CC=C4
InChI=1SC26H28N2O6S2c133419151318(141619)28(36(3132)2095461020)1723(29)272524(26(30)332)2111781222(21)3525h469101316H378111217H212H3(H2729)
methyl2((2(N(benzenesulfonyl)4ethoxyanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((N(4ethoxyphenyl)N(phenylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04128793
ZINC000059651418
ZINC59651418
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