Vitas-M small molecule compound
2-{8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-chloro-4-fluorobenzyl)acetamide
Catalog ID
STL098193
SMILES Clc1ccc(cc1)CSc1nccn2c1nn(c2=O)CC(=O)NCc1ccc(c(c1)Cl)F
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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 C21H16Cl2FN5O2S MW 492.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2FN5O2S/c22-15-4-1-13(2-5-15)12-32-20-19-27-29(21(31)28(19)8-7-25-20)11-18(30)26-10-14-3-6-17(24)16(23)9-14/h1-9H,10-12H2,(H,26,30)InChIKey
NZYZLJZNITZUMF-UHFFFAOYSA-NSynonyms
2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)N(3chloro4fluorobenzyl)acetamide
C1=CC(=CC=C1CSC2=NC=CN3C2=NN(C3=O)CC(=O)NCC4=CC(=C(C=C4)F)Cl)Cl
InChI=1SC21H16Cl2FN5O2Sc22154113(2515)123220192729(21(31)28(19)872520)1118(30)2610143617(24)16(23)914h19H1012H2(H2630)
MFCD18789440
N((3chloro4fluorophenyl)methyl)2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)acetamide
ZINC000067255477
ZINC67255477
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