Vitas-M small molecule compound
methyl 2-{[(1H-1,2,3-triazol-5-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL477651
SMILES COC(=O)c1c(NC(=O)CSc2cnn[nH]2)sc2c1CCCC2
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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 C14H16N4O3S2 MW 352.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O3S2/c1-21-14(20)12-8-4-2-3-5-9(8)23-13(12)16-10(19)7-22-11-6-15-18-17-11/h6H,2-5,7H2,1H3,(H,16,19)(H,15,17,18)InChIKey
ISGDULTYXLNCBN-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NNN=C3
COC(=O)c1c(NC(=O)CSc2cnn(nH)2)sc2c1CCCC2
InChI=1SC14H16N4O3S2c12114(20)12842359(8)2313(12)1610(19)72211615181711h6H257H21H3(H1619)(H151718)
methyl2(((1H123triazol5ylsulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(2Htriazol4ylsulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD30502711
ZINC000334160614
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