Vitas-M small molecule compound
1-(4-fluorophenyl)-4-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Catalog ID
STK723623
SMILES Fc1ccc(cc1)C(=O)CCCSc1nnc2c(n1)n(C(C)C)c1c2cccc1
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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 C22H21FN4OS MW 408.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4OS/c1-14(2)27-18-7-4-3-6-17(18)20-21(27)24-22(26-25-20)29-13-5-8-19(28)15-9-11-16(23)12-10-15/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3InChIKey
NRRNGMPSLYPEAN-UHFFFAOYSA-NSynonyms
1(4fluorophenyl)4((5(propan2yl)5H(124)triazino(56b)indol3yl)sulfanyl)butan1one
1(4FLUOROPHENYL)4((5PROPAN2YL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)BUTAN1ONE
CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SCCCC(=O)C4=CC=C(C=C4)F
InChI=1SC22H21FN4OSc114(2)2718743617(18)2021(27)2422(262520)29135819(28)1591116(23)121015h346791214H5813H212H3
MFCD05856734
ZINC000004698205
ZINC04698205
ZINC4698205
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