Vitas-M small molecule compound
propyl 2-({[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK315822
SMILES CCCOC(=O)c1c(NC(=O)C23CC4CC(C2)CC(C3)(C4)n2cnc(n2)Cl)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 C26H33ClN4O3S MW 517.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33ClN4O3S/c1-3-6-34-22(32)20-18-5-4-15(2)7-19(18)35-21(20)29-23(33)25-9-16-8-17(10-25)12-26(11-16,13-25)31-14-28-24(27)30-31/h14-17H,3-13H2,1-2H3,(H,29,33)InChIKey
MOOBKPAWBKRYND-UHFFFAOYSA-NSynonyms
494860-35-4494860354
CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Cl
InChI=1SC26H33ClN4O3Sc1363422(32)20185415(2)719(18)3521(20)2923(33)25916817(1025)1226(11161325)31142824(27)3031h1417H313H212H3(H2933)
MFCD02055391
propyl2(((3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2((3(3chloro124triazol1yl)adamantane1carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000008444573
ZINC000013961614
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