Vitas-M small molecule compound
2-amino-4-(2-bromo-5-methoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
Catalog ID
STK782600
SMILES N#CC1=C(N)Oc2c(C1c1cc(OC)ccc1Br)c(=O)sc1c2cccc1
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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 C20H13BrN2O3S MW 441.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN2O3S/c1-25-10-6-7-14(21)12(8-10)16-13(9-22)19(23)26-18-11-4-2-3-5-15(11)27-20(24)17(16)18/h2-8,16H,23H2,1H3InChIKey
KBDKZSRVAICMPG-UHFFFAOYSA-NSynonyms
2amino4(2bromo5methoxyphenyl)5oxo4H5Hthiochromeno(43b)pyran3carbonitrile
2AMINO4(2BROMO5METHOXYPHENYL)5OXO4HTHIOCHROMENO(43B)PYRAN3CARBONITRILE
COC1=CC(=C(C=C1)Br)C2C(=C(OC3=C2C(=O)SC4=CC=CC=C43)N)C#N
InChI=1SC20H13BrN2O3Sc125106714(21)12(810)1613(922)19(23)261811423515(11)2720(24)17(16)18h2816H23H21H3
MFCD06017854
ZINC000012419864
ZINC000012419867
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