Vitas-M small molecule compound

3,5-dimethylphenyl 5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylate

Catalog ID
STK909299
SMILES Cc1cc(cc(c1)C)OC(=O)c1nc(ncc1Cl)S(=O)(=O)C

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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 C14H13ClN2O4S MW 340.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClN2O4S/c1-8-4-9(2)6-10(5-8)21-13(18)12-11(15)7-16-14(17-12)22(3,19)20/h4-7H,1-3H3
InChIKey
AXSOYRSFDWECDC-UHFFFAOYSA-N
Synonyms

(35dimethylphenyl)5chloro2methylsulfonylpyrimidine4carboxylate
35dimethylphenyl5chloro2(methylsulfonyl)pyrimidine4carboxylate
CC1=CC(=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)C
InChI=1SC14H13ClN2O4Sc1849(2)610(58)2113(18)1211(15)71614(1712)22(319)20h47H13H3
MFCD06648508
ZINC000016806679
ZINC16806679

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.