Vitas-M small molecule compound
3-amino-6-bromo-2-[(3-fluoro-4-methoxybenzyl)sulfanyl]quinazolin-4(3H)-one
Catalog ID
STL166963
SMILES COc1ccc(cc1F)CSc1nc2ccc(cc2c(=O)n1N)Br
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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 C16H13BrFN3O2S MW 410.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrFN3O2S/c1-23-14-5-2-9(6-12(14)18)8-24-16-20-13-4-3-10(17)7-11(13)15(22)21(16)19/h2-7H,8,19H2,1H3InChIKey
XHQNZIARJQFLPG-UHFFFAOYSA-NSynonyms
3amino6bromo2((3fluoro4methoxybenzyl)sulfanyl)quinazolin4(3H)one
3amino6bromo2((3fluoro4methoxyphenyl)methylsulfanyl)quinazolin4one
COC1=C(C=C(C=C1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2N)F
InChI=1SC16H13BrFN3O2Sc12314529(612(14)18)8241620134310(17)711(13)15(22)21(16)19h27H819H21H3
MFCD20749316
ZINC000071768778
ZINC71768778
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