Vitas-M small molecule compound
5-chloro-N-(4-ethoxyphenyl)-2-[(3-methylbenzyl)sulfanyl]pyrimidine-4-carboxamide
Catalog ID
STK913059
SMILES CCOc1ccc(cc1)NC(=O)c1nc(ncc1Cl)SCc1cccc(c1)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 C21H20ClN3O2S MW 413.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O2S/c1-3-27-17-9-7-16(8-10-17)24-20(26)19-18(22)12-23-21(25-19)28-13-15-6-4-5-14(2)11-15/h4-12H,3,13H2,1-2H3,(H,24,26)InChIKey
YBIBKBINHDHXRO-UHFFFAOYSA-NSynonyms
5chloroN(4ethoxyphenyl)2((3methylbenzyl)sulfanyl)pyrimidine4carboxamide
5chloroN(4ethoxyphenyl)2((3methylphenyl)methylsulfanyl)pyrimidine4carboxamide
CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC(=C3)C
InChI=1SC21H20ClN3O2Sc1327179716(81017)2420(26)1918(22)122321(2519)28131564514(2)1115h412H313H212H3(H2426)
MFCD07428025
ZINC000006748164
ZINC06748164
ZINC6748164
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