Vitas-M small molecule compound
N-(2-chlorobenzyl)-4-[1-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Catalog ID
STL131618
SMILES O=C(NCc1ccccc1Cl)CCCn1c(=O)n(CC(=O)Nc2ccc(c(c2)C)C)c2c(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 C29H29ClN4O4 MW 533.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4O4/c1-19-13-14-22(16-20(19)2)32-27(36)18-34-25-11-6-4-9-23(25)28(37)33(29(34)38)15-7-12-26(35)31-17-21-8-3-5-10-24(21)30/h3-6,8-11,13-14,16H,7,12,15,17-18H2,1-2H3,(H,31,35)(H,32,36)InChIKey
PTPYDPJTRAVFLZ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCC4=CC=CC=C4Cl)C
InChI=1SC29H29ClN4O4c119131422(1620(19)2)3227(36)1834251164923(25)28(37)33(29(34)38)1571226(35)3117218351024(21)30h36811131416H712151718H212H3(H3135)(H3236)
MFCD14738481
N((2chlorophenyl)methyl)4(1(2(34dimethylanilino)2oxoethyl)24dioxoquinazolin3yl)butanamide
N(2chlorobenzyl)4(1(2((34dimethylphenyl)amino)2oxoethyl)24dioxo14dihydroquinazolin3(2H)yl)butanamide
ZINC000101331341
ZINC101331341
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