Vitas-M small molecule compound
benzyl [3-(4-{[2-(4-chlorophenyl)ethyl]amino}-4-oxobutyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetate
Catalog ID
STL135894
SMILES O=C(CCCn1c(=O)c2ccccc2n(c1=O)CC(=O)OCc1ccccc1)NCCc1ccc(cc1)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 C29H28ClN3O5 MW 534.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN3O5/c30-23-14-12-21(13-15-23)16-17-31-26(34)11-6-18-32-28(36)24-9-4-5-10-25(24)33(29(32)37)19-27(35)38-20-22-7-2-1-3-8-22/h1-5,7-10,12-15H,6,11,16-20H2,(H,31,34)InChIKey
GYGVMFLIMMXXMH-UHFFFAOYSA-NSynonyms
benzyl(3(4((2(4chlorophenyl)ethyl)amino)4oxobutyl)24dioxo34dihydroquinazolin1(2H)yl)acetate
benzyl2(3(4(2(4chlorophenyl)ethylamino)4oxobutyl)24dioxoquinazolin1yl)acetate
C1=CC=C(C=C1)COC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCCC4=CC=C(C=C4)Cl
InChI=1SC29H28ClN3O5c3023141221(131523)16173126(34)116183228(36)249451025(24)33(29(32)37)1927(35)3820227213822h157101215H6111620H2(H3134)
MFCD14738066
ZINC000101330662
ZINC101330662
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