Vitas-M small molecule compound

2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl benzenesulfonate

Catalog ID
STL302972
SMILES CCCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)OCC)OS(=O)(=O)c3ccccc3)/C2=N)s1

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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 C23H22N4O5S2 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5S2/c1-3-8-20-26-27-21(24)17(22(28)25-23(27)33-20)13-15-11-12-18(19(14-15)31-4-2)32-34(29,30)16-9-6-5-7-10-16/h5-7,9-14,24H,3-4,8H2,1-2H3/b17-13-,24-21-
InChIKey
OXFSQHFCHSMMJX-PAEJSIHKSA-N
Synonyms

(Z)2ethoxy4((5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylbenzenesulfonate
2ethoxy4((Z)(5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylbenzenesulfonate
CCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)OCC)OS(=O)(=O)c3ccccc3)C2=N)s1
MFCD02636734
ZINC000013810158

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Available files

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