Vitas-M small molecule compound
2-acetyl-3,5-dimethylphenyl 5-chloro-2-[(4-fluorobenzyl)sulfonyl]pyrimidine-4-carboxylate
Catalog ID
STL215874
SMILES Fc1ccc(cc1)CS(=O)(=O)c1ncc(c(n1)C(=O)Oc1cc(C)cc(c1C(=O)C)C)Cl
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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 C22H18ClFN2O5S MW 476.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O5S/c1-12-8-13(2)19(14(3)27)18(9-12)31-21(28)20-17(23)10-25-22(26-20)32(29,30)11-15-4-6-16(24)7-5-15/h4-10H,11H2,1-3H3InChIKey
BGSKGBBYFGASCQ-UHFFFAOYSA-NSynonyms
(2acetyl35dimethylphenyl)5chloro2((4fluorophenyl)methylsulfonyl)pyrimidine4carboxylate
2acetyl35dimethylphenyl5chloro2((4fluorobenzyl)sulfonyl)pyrimidine4carboxylate
CC1=CC(=C(C(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F)C(=O)C)C
InChI=1SC22H18ClFN2O5Sc112813(2)19(14(3)27)18(912)3121(28)2017(23)102522(2620)32(2930)11154616(24)7515h410H11H213H3
MFCD18079472
ZINC000032624200
ZINC32624200
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