Vitas-M small molecule compound
ethyl 4-[(4-hexylphenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Catalog ID
STL170089
SMILES CCCCCCc1ccc(cc1)Nc1nc(SC)ncc1C(=O)OCC
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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 C20H27N3O2S MW 373.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O2S/c1-4-6-7-8-9-15-10-12-16(13-11-15)22-18-17(19(24)25-5-2)14-21-20(23-18)26-3/h10-14H,4-9H2,1-3H3,(H,21,22,23)InChIKey
BSKNOUWXFLHLGS-UHFFFAOYSA-NSynonyms
CCCCCCC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC
ethyl4((4hexylphenyl)amino)2(methylsulfanyl)pyrimidine5carboxylate
ETHYL4((4HEXYLPHENYL)AMINO)2METHYLTHIOPYRIMIDINE5CARBOXYLATE
ETHYL4(4HEXYLANILINO)2METHYLSULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC20H27N3O2Sc14678915101216(131115)221817(19(24)2552)142120(2318)263h1014H49H213H3(H212223)
MFCD00294873
ZINC000002761130
ZINC02761130
ZINC2761130
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