Vitas-M small molecule compound
2-{[({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STK682685
SMILES O=C(Nc1sc2c(c1C(=O)O)CCCC2)CSc1nnnn1c1ccc(cc1)OC(F)(F)F
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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 C19H16F3N5O4S2 MW 499.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F3N5O4S2/c20-19(21,22)31-11-7-5-10(6-8-11)27-18(24-25-26-27)32-9-14(28)23-16-15(17(29)30)12-3-1-2-4-13(12)33-16/h5-8H,1-4,9H2,(H,23,28)(H,29,30)InChIKey
BJTFUJSTHDFOEU-UHFFFAOYSA-NSynonyms
2((((1(4(trifluoromethoxy)phenyl)1Htetrazol5yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2((2(1(4(trifluoromethoxy)phenyl)tetrazol5yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)OC(F)(F)F)C(=O)O
InChI=1SC19H16F3N5O4S2c2019(2122)31117510(6811)2718(24252627)32914(28)231615(17(29)30)12312413(12)3316h58H149H2(H2328)(H2930)
MFCD04060488
ZINC000003629001
ZINC3629001
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