Vitas-M small molecule compound
2-(5-bromo-2-hydroxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-4-olate
Catalog ID
STK566590
SMILES C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)ccc1O)[O-]
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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 C16H16BrN3O2S MW 394.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrN3O2S/c1-20-5-4-9-12(7-20)23-16-13(9)15(22)18-14(19-16)10-6-8(17)2-3-11(10)21/h2-3,6,14,19,21H,4-5,7H2,1H3,(H,18,22)InChIKey
JROGYPQNSRRQEU-UHFFFAOYSA-NSynonyms
488811-51-42(5bromo2hydroxyphenyl)7methyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
2(5bromo2hydroxyphenyl)7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium4olate
488811514
C(NH+)1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)ccc1O)(O)
CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)Br)O
InChI=1SC16H16BrN3O2Sc12054912(720)231613(9)15(22)1814(1916)1068(17)2311(10)21h236141921H457H21H3(H1822)
MFCD14710516
ZINC000006732672
ZINC000006732674
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