Vitas-M small molecule compound

2-{[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone

Catalog ID
STL105997
SMILES Cc1cc(SCC(=O)N2CCOc3c2cc(C)cc3)nc(n1)c1cccc(c1)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 C22H20FN3O2S MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O2S/c1-14-6-7-19-18(10-14)26(8-9-28-19)21(27)13-29-20-11-15(2)24-22(25-20)16-4-3-5-17(23)12-16/h3-7,10-12H,8-9,13H2,1-2H3
InChIKey
XRJBRSBHQCVIEW-UHFFFAOYSA-N
Synonyms

2((2(3fluorophenyl)6methylpyrimidin4yl)sulfanyl)1(6methyl23dihydro4H14benzoxazin4yl)ethanone
2(2(3fluorophenyl)6methylpyrimidin4yl)sulfanyl1(6methyl23dihydro14benzoxazin4yl)ethanone
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC(=NC(=C3)C)C4=CC(=CC=C4)F
InChI=1SC22H20FN3O2Sc114671918(1014)26(892819)21(27)1329201115(2)2422(2520)1643517(23)1216h371012H8913H212H3
MFCD20737188
ZINC000067257431
ZINC67257431

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Available files

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