Vitas-M small molecule compound
methyl 6-methyl-2-{[(pyridin-3-ylmethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436855
SMILES COC(=O)c1c(NC(=S)NCc2cccnc2)sc2c1CCC(C2)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 C18H21N3O2S2 MW 375.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O2S2/c1-11-5-6-13-14(8-11)25-16(15(13)17(22)23-2)21-18(24)20-10-12-4-3-7-19-9-12/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H2,20,21,24)InChIKey
NFFAGRBNKBPRHW-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CN=CC=C3
InChI=1SC18H21N3O2S2c111561314(811)2516(15(13)17(22)232)2118(24)20101243719912h347911H56810H212H3(H2202124)
methyl6methyl2(((pyridin3ylmethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2(pyridin3ylmethylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03945317
ZINC000005986449
ZINC000005986499
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