Vitas-M small molecule compound
3,4-dimethylphenyl 2-(benzylsulfonyl)-5-chloropyrimidine-4-carboxylate
Catalog ID
STK517423
SMILES O=C(c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1)Oc1ccc(c(c1)C)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 C20H17ClN2O4S MW 416.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O4S/c1-13-8-9-16(10-14(13)2)27-19(24)18-17(21)11-22-20(23-18)28(25,26)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3InChIKey
OKNDUKNFPNLCAC-UHFFFAOYSA-NSynonyms
(34dimethylphenyl)2benzylsulfonyl5chloropyrimidine4carboxylate
34dimethylphenyl2(benzylsulfonyl)5chloropyrimidine4carboxylate
CC1=C(C=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3)C
InChI=1SC20H17ClN2O4Sc1138916(1014(13)2)2719(24)1817(21)112220(2318)28(2526)12156435715h311H12H212H3
MFCD08549671
ZINC000009206523
ZINC09206523
ZINC9206523
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