Vitas-M small molecule compound
N-(2-chlorobenzyl)-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL134967
SMILES O=C(Cn1c2cc(ccc2c(=O)n(c1=O)c1ccc(cc1)C)C(=O)NCc1ccccc1Cl)NCCC1=CCCCC1
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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 C33H33ClN4O4 MW 585.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33ClN4O4/c1-22-11-14-26(15-12-22)38-32(41)27-16-13-24(31(40)36-20-25-9-5-6-10-28(25)34)19-29(27)37(33(38)42)21-30(39)35-18-17-23-7-3-2-4-8-23/h5-7,9-16,19H,2-4,8,17-18,20-21H2,1H3,(H,35,39)(H,36,40)InChIKey
UQHLGBSBWKDKIT-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N(C2=O)CC(=O)NCCC5=CCCCC5
InChI=1SC33H33ClN4O4c122111426(151222)3832(41)27161324(31(40)3620259561028(25)34)1929(27)37(33(38)42)2130(39)351817237324823h5791619H24817182021H21H3(H3539)(H3640)
MFCD14761465
N((2chlorophenyl)methyl)1(2(2(cyclohexen1yl)ethylamino)2oxoethyl)3(4methylphenyl)24dioxoquinazoline7carboxamide
N(2chlorobenzyl)1(2((2(cyclohex1en1yl)ethyl)amino)2oxoethyl)3(4methylphenyl)24dioxo1234tetrahydroquinazoline7carboxamide
ZINC000101432475
ZINC101432475
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