Vitas-M small molecule compound
2-{8-[(4-chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-cyclohexylacetamide
Catalog ID
STL098174
SMILES O=C(Cn1nc2n(c1=O)ccnc2SCc1ccc(cc1)Cl)NC1CCCCC1
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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 C20H22ClN5O2S MW 431.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN5O2S/c21-15-8-6-14(7-9-15)13-29-19-18-24-26(20(28)25(18)11-10-22-19)12-17(27)23-16-4-2-1-3-5-16/h6-11,16H,1-5,12-13H2,(H,23,27)InChIKey
QJZAEMUCRAEQPL-UHFFFAOYSA-NSynonyms
2(8((4chlorobenzyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)Ncyclohexylacetamide
2(8((4chlorophenyl)methylsulfanyl)3oxo(124)triazolo(43a)pyrazin2yl)Ncyclohexylacetamide
C1CCC(CC1)NC(=O)CN2C(=O)N3C=CN=C(C3=N2)SCC4=CC=C(C=C4)Cl
InChI=1SC20H22ClN5O2Sc21158614(7915)132919182426(20(28)25(18)11102219)1217(27)23164213516h61116H151213H2(H2327)
MFCD18789421
ZINC000067255320
ZINC67255320
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