Vitas-M small molecule compound
2-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK860241
SMILES CC(c1cc(Cl)c(cc1OCc1nc2n(n1)cnc1c2c2CCCCCc2s1)C)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 C23H25ClN4OS MW 441.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4OS/c1-13(2)16-10-17(24)14(3)9-18(16)29-11-20-26-22-21-15-7-5-4-6-8-19(15)30-23(21)25-12-28(22)27-20/h9-10,12-13H,4-8,11H2,1-3H3InChIKey
JYQPXZFJKHFCAY-UHFFFAOYSA-NSynonyms
381174-98-72((4chloro2isopropyl5methylphenoxy)methyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
2((4chloro5methyl2(propan2yl)phenoxy)methyl)9101112tetrahydro8Hcyclohepta(45)thieno(32e)(124)triazolo(15c)pyrimidine
381174987
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5
InChI=1SC23H25ClN4OSc113(2)161017(24)14(3)918(16)291120262221157546819(15)3023(21)251228(22)2720h9101213H4811H213H3
MFCD02993176
ZINC000001763237
ZINC01763237
ZINC1763237
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