Vitas-M small molecule compound
5-chloro-N-{2-[(4-ethoxyphenyl)carbonyl]-1-benzofuran-3-yl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK911682
SMILES C=CCSc1ncc(c(n1)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(cc1)OCC)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 C25H20ClN3O4S MW 493.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O4S/c1-3-13-34-25-27-14-18(26)21(29-25)24(31)28-20-17-7-5-6-8-19(17)33-23(20)22(30)15-9-11-16(12-10-15)32-4-2/h3,5-12,14H,1,4,13H2,2H3,(H,28,31)InChIKey
QCWRZLNJGHRUAU-UHFFFAOYSA-NSynonyms
5chloroN(2((4ethoxyphenyl)carbonyl)1benzofuran3yl)2(prop2en1ylsulfanyl)pyrimidine4carboxamide
5chloroN(2(4ethoxybenzoyl)1benzofuran3yl)2prop2enylsulfanylpyrimidine4carboxamide
CCOC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Cl)SCC=C
InChI=1SC25H20ClN3O4Sc13133425271418(26)21(2925)24(31)282017756819(17)3323(20)22(30)1591116(121015)3242h351214H1413H22H3(H2831)
MFCD07426610
ZINC000008916151
ZINC08916151
ZINC8916151
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