Vitas-M small molecule compound

4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate

Catalog ID
STK821644
SMILES O=C1N(C)C(=O)C(=Cc2ccc(cc2)OC(=O)c2sc3c(c2Cl)cccc3)C(=O)N1C

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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 C22H15ClN2O5S MW 454.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O5S/c1-24-19(26)15(20(27)25(2)22(24)29)11-12-7-9-13(10-8-12)30-21(28)18-17(23)14-5-3-4-6-16(14)31-18/h3-11H,1-2H3
InChIKey
ZGGUPDKLVSBNEI-UHFFFAOYSA-N
Synonyms
329702-99-0
(4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
329702990
4((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl3chloro1benzothiophene2carboxylate
4((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL3CHLOROBENZO(B)THIOPHENE2CARBOXYLATE
CN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)N(C1=O)C
InChI=1SC22H15ClN2O5Sc12419(26)15(20(27)25(2)22(24)29)11127913(10812)3021(28)1817(23)14534616(14)3118h311H12H3
MFCD01072182
ZINC000002254513
ZINC02254513
ZINC2254513

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Available files

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