Vitas-M small molecule compound
ethyl 2-[({8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetyl)amino]benzoate
Catalog ID
STL105667
SMILES CCOC(=O)c1ccccc1NC(=O)Cn1nc2n(c1=O)ccnc2SCc1ccc(cc1)Cl
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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 C23H20ClN5O4S MW 497.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O4S/c1-2-33-22(31)17-5-3-4-6-18(17)26-19(30)13-29-23(32)28-12-11-25-21(20(28)27-29)34-14-15-7-9-16(24)10-8-15/h3-12H,2,13-14H2,1H3,(H,26,30)InChIKey
GEUFZSRHJPLINY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl
ethyl2(((8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)acetyl)amino)benzoate
ethyl2((2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)acetyl)amino)benzoate
InChI=1SC23H20ClN5O4Sc123322(31)17534618(17)2619(30)132923(32)2812112521(20(28)2729)3414157916(24)10815h312H21314H21H3(H2630)
MFCD20736858
ZINC000065150989
ZINC65150989
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