Vitas-M small molecule compound
2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone
Catalog ID
STK987511
SMILES Cc1ccc2c(c1)N(CCO2)C(=O)CSc1nnc(n1N)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 C19H18FN5O2S MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FN5O2S/c1-12-5-6-16-15(9-12)24(7-8-27-16)17(26)11-28-19-23-22-18(25(19)21)13-3-2-4-14(20)10-13/h2-6,9-10H,7-8,11,21H2,1H3InChIKey
MOCXUNIWNKZFJE-UHFFFAOYSA-NSynonyms
2((4amino5(3fluorophenyl)124triazol3yl)sulfanyl)1(6methyl23dihydro14benzoxazin4yl)ethanone
2((4amino5(3fluorophenyl)4H124triazol3yl)sulfanyl)1(6methyl23dihydro4H14benzoxazin4yl)ethanone
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)F
InChI=1SC19H18FN5O2Sc112561615(912)24(782716)17(26)112819232218(25(19)21)1332414(20)1013h26910H781121H21H3
MFCD18184265
ZINC000051319274
ZINC51319274
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