Vitas-M small molecule compound
methyl 5-chloro-2-({[(4-oxo-3-propyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL060088
SMILES CCCn1c(SCC(=O)Nc2ccc(cc2C(=O)OC)Cl)nc2c(c1=O)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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-3-10-25-19(27)14-6-4-5-7-16(14)24-21(25)30-12-18(26)23-17-9-8-13(22)11-15(17)20(28)29-2/h4-9,11H,3,10,12H2,1-2H3,(H,23,26)InChIKey
YUVUPICDWBZRLO-UHFFFAOYSA-NSynonyms
CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)OC
InChI=1SC21H20ClN3O4Sc13102519(27)14645716(14)2421(25)301218(26)23179813(22)1115(17)20(28)292h4911H31012H212H3(H2326)
methyl5chloro2((((4oxo3propyl34dihydroquinazolin2yl)sulfanyl)acetyl)amino)benzoate
methyl5chloro2((2(4oxo3propylquinazolin2yl)sulfanylacetyl)amino)benzoate
MFCD18193404
ZINC000057472459
ZINC57472459
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