Vitas-M small molecule compound
methyl 2-[({[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436837
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2C)C(C)C)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 C18H24N4O3S2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O3S2/c1-10(2)15-20-21-18(22(15)3)26-9-13(23)19-16-14(17(24)25-4)11-7-5-6-8-12(11)27-16/h10H,5-9H2,1-4H3,(H,19,23)InChIKey
UMPSHFXRCMJXRV-UHFFFAOYSA-NSynonyms
CC(C)C1=NN=C(N1C)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC18H24N4O3S2c110(2)15202118(22(15)3)26913(23)191614(17(24)254)11756812(11)2716h10H59H214H3(H1923)
methyl2((((4methyl5(propan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4methyl5propan2yl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03945270
ZINC000005977386
ZINC05977386
ZINC5977386
Check stock
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Check stock on Vitas-MAvailable files
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