Vitas-M small molecule compound
methyl 2-[({[4-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK439883
SMILES COC(=O)c1ccsc1NC(=O)CSc1nnc(n1C)c1csc2c1CCCC2
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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 C19H20N4O3S3 MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O3S3/c1-23-16(13-9-28-14-6-4-3-5-11(13)14)21-22-19(23)29-10-15(24)20-17-12(7-8-27-17)18(25)26-2/h7-9H,3-6,10H2,1-2H3,(H,20,24)InChIKey
BJPSXJSJHKEVHG-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3=CSC4=C3CCCC4
InChI=1SC19H20N4O3S3c12316(1392814643511(13)14)212219(23)291015(24)201712(782717)18(25)262h79H3610H212H3(H2024)
methyl2((((4methyl5(4567tetrahydro1benzothiophen3yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl2((2((4methyl5(4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
MFCD03946052
ZINC000019647995
ZINC19647995
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