Vitas-M small molecule compound
methyl 4-[({[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK019131
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
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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 C23H18BrN5O3S MW 524.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN5O3S/c1-32-22(31)16-2-6-18(7-3-16)26-20(30)14-33-23-28-27-21(15-10-12-25-13-11-15)29(23)19-8-4-17(24)5-9-19/h2-13H,14H2,1H3,(H,26,30)InChIKey
DRQYYAOODCHBBY-UHFFFAOYSA-NSynonyms
477329-30-9477329309
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
InChI=1SC23H18BrN5O3Sc13222(31)162618(7316)2620(30)143323282721(15101225131115)29(23)198417(24)5919h213H14H21H3(H2630)
METHYL4((((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4(4BROMOPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((4(4bromophenyl)5(pyridin4yl)4H124triazol3yl)thio)acetamido)benzoate
MFCD03224633
STK019131
ZINC000001253625
ZINC01253625
ZINC1253625
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.