Vitas-M small molecule compound
5-chloro-N-(4-methoxybenzyl)-2-[(4-methylbenzyl)sulfanyl]pyrimidine-4-carboxamide
Catalog ID
STK912084
SMILES COc1ccc(cc1)CNC(=O)c1nc(ncc1Cl)SCc1ccc(cc1)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/c1-14-3-5-16(6-4-14)13-28-21-24-12-18(22)19(25-21)20(26)23-11-15-7-9-17(27-2)10-8-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)InChIKey
BGTRZDMMTIBBPK-UHFFFAOYSA-NSynonyms
5chloroN((4methoxyphenyl)methyl)2((4methylphenyl)methylsulfanyl)pyrimidine4carboxamide
5chloroN(4methoxybenzyl)2((4methylbenzyl)sulfanyl)pyrimidine4carboxamide
CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)Cl
InChI=1SC21H20ClN3O2Sc1143516(6414)132821241218(22)19(2521)20(26)2311157917(272)10815h31012H1113H212H3(H2326)
MFCD07427002
ZINC000006748019
ZINC06748019
ZINC6748019
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