Vitas-M small molecule compound
4-cyanophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate
Catalog ID
STK909213
SMILES N#Cc1ccc(cc1)OC(=O)c1nc(SCc2ccccc2)ncc1Cl
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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 C19H12ClN3O2S MW 381.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClN3O2S/c20-16-11-22-19(26-12-14-4-2-1-3-5-14)23-17(16)18(24)25-15-8-6-13(10-21)7-9-15/h1-9,11H,12H2InChIKey
LSMBQCSMFRYVAT-UHFFFAOYSA-NSynonyms
(4CYANOPHENYL)2BENZYLSULFANYL5CHLOROPYRIMIDINE4CARBOXYLATE
4cyanophenyl2(benzylsulfanyl)5chloropyrimidine4carboxylate
C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)C#N)Cl
InChI=1SC19H12ClN3O2Sc2016112219(2612144213514)2317(16)18(24)25158613(1021)7915h1911H12H2
MFCD06629600
ZINC000004810082
ZINC04810082
ZINC4810082
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