Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-8-bromo-6-nitro-2H-chromen-2-one
Catalog ID
STL291140
SMILES O=c1oc2c(Br)cc(cc2cc1c1nc2c(s1)cccc2)[N+](=O)[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 C16H7BrN2O4S MW 403.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H7BrN2O4S/c17-11-7-9(19(21)22)5-8-6-10(16(20)23-14(8)11)15-18-12-3-1-2-4-13(12)24-15/h1-7HInChIKey
DVUHWMGUONUNKL-UHFFFAOYSA-NSynonyms
3(13benzothiazol2yl)8bromo6nitro2Hchromen2one
3(13benzothiazol2yl)8bromo6nitrochromen2one
C1=CC=C2C(=C1)N=C(S2)C3=CC4=CC(=CC(=C4OC3=O)Br)(N+)(=O)(O)
InChI=1SC16H7BrN2O4Sc171179(19(21)22)58610(16(20)2314(8)11)151812312413(12)2415h17H
MFCD07437775
O=c1oc2c(Br)cc(cc2cc1c1nc2c(s1)cccc2)(N+)(=O)(O)
ZINC000009235914
ZINC09235914
ZINC9235914
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