Vitas-M small molecule compound
3-{[4-(3-chloro-4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK658323
SMILES O=C1Nc2ccccc2CCC1Sc1nnc(n1c1ccc(c(c1)Cl)F)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 C19H16ClFN4OS MW 402.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClFN4OS/c1-11-23-24-19(25(11)13-7-8-15(21)14(20)10-13)27-17-9-6-12-4-2-3-5-16(12)22-18(17)26/h2-5,7-8,10,17H,6,9H2,1H3,(H,22,26)InChIKey
DKUPUVXEIRPPMA-UHFFFAOYSA-NSynonyms
1040705-82-51040705825
3((4(3chloro4fluorophenyl)5methyl124triazol3yl)sulfanyl)1345tetrahydro1benzazepin2one
3((4(3chloro4fluorophenyl)5methyl4H124triazol3yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((4(3chloro4fluorophenyl)5methyl4H124triazol3yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
CC1=NN=C(N1C2=CC(=C(C=C2)F)Cl)SC3CCC4=CC=CC=C4NC3=O
InChI=1SC19H16ClFN4OSc111232419(25(11)137815(21)14(20)1013)27179612423516(12)2218(17)26h25781017H69H21H3(H2226)
MFCD12211812
ZINC000032073294
ZINC000032073296
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