Vitas-M small molecule compound
3-(4-ethylphenyl)-1-(3-nitrobenzyl)-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL145739
SMILES CCc1ccc(cc1)n1c(=O)c2ccc(cc2n(c1=O)Cc1cccc(c1)[N+](=O)[O-])C(=O)NCCc1ccccc1
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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 C32H28N4O5 MW 548.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O5/c1-2-22-11-14-26(15-12-22)35-31(38)28-16-13-25(30(37)33-18-17-23-7-4-3-5-8-23)20-29(28)34(32(35)39)21-24-9-6-10-27(19-24)36(40)41/h3-16,19-20H,2,17-18,21H2,1H3,(H,33,37)InChIKey
XDXNYGIPUGJQEC-UHFFFAOYSA-NSynonyms
3(4ethylphenyl)1((3nitrophenyl)methyl)24dioxoN(2phenylethyl)quinazoline7carboxamide
3(4ethylphenyl)1(3nitrobenzyl)24dioxoN(2phenylethyl)1234tetrahydroquinazoline7carboxamide
CCC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=CC=C4)N(C2=O)CC5=CC(=CC=C5)(N+)(=O)(O)
CCc1ccc(cc1)n1c(=O)c2ccc(cc2n(c1=O)Cc1cccc(c1)(N+)(=O)(O))C(=O)NCCc1ccccc1
InChI=1SC32H28N4O5c1222111426(151222)3531(38)28161325(30(37)331817237435823)2029(28)34(32(35)39)2124961027(1924)36(40)41h3161920H2171821H21H3(H3337)
MFCD14761560
ZINC000101432677
ZINC101432677
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