Vitas-M small molecule compound
5-chloro-N-{2-[(4-methylphenyl)carbonyl]-1-benzofuran-3-yl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK911681
SMILES C=CCSc1ncc(c(n1)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(cc1)C)Cl
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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 C24H18ClN3O3S MW 463.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O3S/c1-3-12-32-24-26-13-17(25)20(28-24)23(30)27-19-16-6-4-5-7-18(16)31-22(19)21(29)15-10-8-14(2)9-11-15/h3-11,13H,1,12H2,2H3,(H,27,30)InChIKey
SYIOZSXFADKPIV-UHFFFAOYSA-NSynonyms
5chloroN(2((4methylphenyl)carbonyl)1benzofuran3yl)2(prop2en1ylsulfanyl)pyrimidine4carboxamide
5chloroN(2(4methylbenzoyl)1benzofuran3yl)2prop2enylsulfanylpyrimidine4carboxamide
CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Cl)SCC=C
InChI=1SC24H18ClN3O3Sc13123224261317(25)20(2824)23(30)271916645718(16)3122(19)21(29)1510814(2)91115h31113H112H22H3(H2730)
MFCD07426609
ZINC000008916148
ZINC08916148
ZINC8916148
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