Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020442
SMILES COC(=O)c1c(NC(=O)CC2SC(=N)NC2=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 C19H25N3O4S2 MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O4S2/c1-19(2,3)9-5-6-10-11(7-9)27-16(14(10)17(25)26-4)21-13(23)8-12-15(24)22-18(20)28-12/h9,12H,5-8H2,1-4H3,(H,21,23)(H2,20,22,24)InChIKey
NBJBGYVZDDHBBX-UHFFFAOYSA-NSynonyms
514182-05-9514182059
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)N=C(S3)N
InChI=1SC19H25N3O4S2c119(23)9561011(79)2716(14(10)17(25)264)2113(23)81215(24)2218(20)2812h912H58H214H3(H2123)(H2202224)
methyl2((2(2amino4oxo13thiazol5yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(((2imino4oxo13thiazolidin5yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03619111
ZINC000008693854
ZINC000011859529
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