Vitas-M small molecule compound
5-chloro-N-{2-[(4-ethoxyphenyl)carbonyl]-1-benzofuran-3-yl}-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK912329
SMILES CCOc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1nc(ncc1Cl)SC(C)C)cccc2
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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 C25H22ClN3O4S MW 495.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O4S/c1-4-32-16-11-9-15(10-12-16)22(30)23-20(17-7-5-6-8-19(17)33-23)28-24(31)21-18(26)13-27-25(29-21)34-14(2)3/h5-14H,4H2,1-3H3,(H,28,31)InChIKey
KCXPWATZJXAWDF-UHFFFAOYSA-NSynonyms
5chloroN(2((4ethoxyphenyl)carbonyl)1benzofuran3yl)2(propan2ylsulfanyl)pyrimidine4carboxamide
5chloroN(2(4ethoxybenzoyl)1benzofuran3yl)2propan2ylsulfanylpyrimidine4carboxamide
CCOC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Cl)SC(C)C
InChI=1SC25H22ClN3O4Sc14321611915(101216)22(30)2320(17756819(17)3323)2824(31)2118(26)132725(2921)3414(2)3h514H4H213H3(H2831)
MFCD07427272
ZINC000008916969
ZINC08916969
ZINC8916969
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