Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-2-[(4-fluorobenzyl)sulfanyl]pyrimidine-4-carboxamide
Catalog ID
STK909670
SMILES CCOc1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)SCc1ccc(cc1)F)C1CCS(=O)(=O)C1
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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 C25H25ClFN3O4S2 MW 550.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClFN3O4S2/c1-2-34-21-9-5-17(6-10-21)14-30(20-11-12-36(32,33)16-20)24(31)23-22(26)13-28-25(29-23)35-15-18-3-7-19(27)8-4-18/h3-10,13,20H,2,11-12,14-16H2,1H3InChIKey
NPKZPZCHBGPSSI-UHFFFAOYSA-NSynonyms
5chloroN(11dioxidotetrahydrothiophen3yl)N(4ethoxybenzyl)2((4fluorobenzyl)sulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4ethoxyphenyl)methyl)2((4fluorophenyl)methylsulfanyl)pyrimidine4carboxamide
CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F
InChI=1SC25H25ClFN3O4S2c1234219517(61021)1430(20111236(3233)1620)24(31)2322(26)132825(2923)3515183719(27)8418h3101320H211121416H21H3
MFCD06648847
ZINC000098047878
ZINC000098047879
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