Vitas-M small molecule compound
ethyl 2-[({2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK724512
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(cc1)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 C27H27FN2O5S2 MW 542.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O5S2/c1-2-35-27(32)24-21-9-5-6-10-23(21)36-26(24)29-25(31)22-15-17-7-3-4-8-18(17)16-30(22)37(33,34)20-13-11-19(28)12-14-20/h3-4,7-8,11-14,22H,2,5-6,9-10,15-16H2,1H3,(H,29,31)InChIKey
OFSZOBQFQWGLIV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)F
ethyl2(((2((4fluorophenyl)sulfonyl)1234tetrahydroisoquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4fluorophenyl)sulfonyl34dihydro1Hisoquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H27FN2O5S2c123527(32)24219561023(21)3626(24)2925(31)221517734818(17)1630(22)37(3334)20131119(28)121420h3478111422H2569101516H21H3(H2931)
MFCD05257910
ZINC000001422492
ZINC000001422493
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