Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019276
SMILES CCOC(=O)c1c(NC(=O)CC2Sc3ccccc3NC2=O)sc2c1CCC(C2)C(C)(C)C
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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 C25H30N2O4S2 MW 486.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4S2/c1-5-31-24(30)21-15-11-10-14(25(2,3)4)12-18(15)33-23(21)27-20(28)13-19-22(29)26-16-8-6-7-9-17(16)32-19/h6-9,14,19H,5,10-13H2,1-4H3,(H,26,29)(H,27,28)InChIKey
AWIYWJWLKILPGQ-UHFFFAOYSA-NSynonyms
692759-84-5692759845
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CC3C(=O)NC4=CC=CC=C4S3
ethyl6tertbutyl2(((3oxo34dihydro2H14benzothiazin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(3oxo4H14benzothiazin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H30N2O4S2c153124(30)2115111014(25(23)4)1218(15)3323(21)2720(28)131922(29)2616867917(16)3219h691419H51013H214H3(H2629)(H2728)
MFCD05744478
ZINC000000935475
ZINC000000935478
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