Vitas-M small molecule compound

3-[(E)-(5-iminio-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-4-oxo-4H-chromen-6-olate

Catalog ID
STK580059
SMILES [O-]c1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=O)N=c2n(C1=[NH2+])ccs2

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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 C16H9N3O4S MW 339.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9N3O4S/c17-14-11(15(22)18-16-19(14)3-4-24-16)5-8-7-23-12-2-1-9(20)6-10(12)13(8)21/h1-7,17,20H/b11-5+,17-14?
InChIKey
FNEJQEBATASNNC-UTVFFRKMSA-N
Synonyms

(6E)5AZANYLIDENE6((6OXIDANYL4OXIDANYLIDENECHROMEN3YL)METHYLIDENE)(13)THIAZOLO(32A)PYRIMIDIN7ONE
(6E)6((6HYDROXY4KETOCHROMEN3YL)METHYLENE)5IMINOTHIAZOLO(32A)PYRIMIDIN7ONE
(6E)6((6HYDROXY4OXO1BENZOPYRAN3YL)METHYLIDENE)5IMINO7THIAZOLO(32A)PYRIMIDINONE
(6E)6((6HYDROXY4OXOCHROMEN3YL)METHYLIDENE)5IMINO(13)THIAZOLO(32A)PYRIMIDIN7ONE
(O)c1ccc2c(c1)c(=O)c(co2)C=C1C(=O)N=c2n(C1=(NH2+))ccs2
3((E)(5iminio7oxo5H(13)thiazolo(32a)pyrimidin6(7H)ylidene)methyl)4oxo4Hchromen6olate
6(1(6HYDROXY4OXO4HCHROMEN3YL)METH(E)YLIDENE)5IMINO56DIHYDROTHIAZOLO(32A)PYRIMIDIN7ONE
C1=CC2=C(C=C1O)C(=O)C(=CO2)C=C3C(=N)N4C=CSC4=NC3=O
InChI=1SC16H9N3O4Sc171411(15(22)181619(14)342416)5872312219(20)610(12)13(8)21h171720Hb115+1714?
MFCD06609614
ZINC000005442848
ZINC05442848
ZINC13540930
ZINC5442848

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Available files

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