Vitas-M small molecule compound
2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl 3-chloro-4-fluorobenzoate
Catalog ID
STL012167
SMILES CSc1cccc(c1)NC(=O)COC(=O)c1ccc(c(c1)Cl)F
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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 C16H13ClFNO3S MW 353.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFNO3S/c1-23-12-4-2-3-11(8-12)19-15(20)9-22-16(21)10-5-6-14(18)13(17)7-10/h2-8H,9H2,1H3,(H,19,20)InChIKey
ZIHOLIWJTGCCHR-UHFFFAOYSA-NSynonyms
(2(3methylsulfanylanilino)2oxoethyl)3chloro4fluorobenzoate
2((3(methylsulfanyl)phenyl)amino)2oxoethyl3chloro4fluorobenzoate
CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)Cl
InChI=1SC16H13ClFNO3Sc1231242311(812)1915(20)92216(21)105614(18)13(17)710h28H9H21H3(H1920)
MFCD18185526
ZINC000051354040
ZINC51354040
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