Vitas-M small molecule compound
4-amino-6-[(4-chloro-3-fluorophenyl)amino]-3-[(3,4-dimethoxybenzyl)sulfanyl]-1,2,4-triazin-5(4H)-one
Catalog ID
STL274838
SMILES COc1cc(CSc2nnc(c(=O)n2N)Nc2ccc(c(c2)F)Cl)ccc1OC
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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 C18H17ClFN5O3S MW 437.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN5O3S/c1-27-14-6-3-10(7-15(14)28-2)9-29-18-24-23-16(17(26)25(18)21)22-11-4-5-12(19)13(20)8-11/h3-8H,9,21H2,1-2H3,(H,22,23)InChIKey
RCXGTWNKJXHLSA-UHFFFAOYSA-NSynonyms
4amino6((4chloro3fluorophenyl)amino)3((34dimethoxybenzyl)sulfanyl)124triazin5(4H)one
4amino6(4chloro3fluoroanilino)3((34dimethoxyphenyl)methylsulfanyl)124triazin5one
COC1=C(C=C(C=C1)CSC2=NN=C(C(=O)N2N)NC3=CC(=C(C=C3)Cl)F)OC
InChI=1SC18H17ClFN5O3Sc127146310(715(14)282)92918242316(17(26)25(18)21)22114512(19)13(20)811h38H921H212H3(H2223)
MFCD24853939
ZINC000028535916
ZINC28535916
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