Vitas-M small molecule compound
3-(4-chlorophenyl)-4-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}butanoic acid
Catalog ID
STK716961
SMILES O=C(CCn1nnc2c(c1=O)cccc2)NCC(c1ccc(cc1)Cl)CC(=O)O
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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 C20H19ClN4O4 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O4/c21-15-7-5-13(6-8-15)14(11-19(27)28)12-22-18(26)9-10-25-20(29)16-3-1-2-4-17(16)23-24-25/h1-8,14H,9-12H2,(H,22,26)(H,27,28)InChIKey
NWAPRBKODBKJPW-UHFFFAOYSA-NSynonyms
(R)3(4chlorophenyl)4(3(4oxobenzo(d)(123)triazin3(4H)yl)propanamido)butanoicacid
3(4chlorophenyl)4((3(4oxo123benzotriazin3(4H)yl)propanoyl)amino)butanoicacid
3(4chlorophenyl)4(3(4oxo123benzotriazin3yl)propanoylamino)butanoicacid
C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCC(CC(=O)O)C3=CC=C(C=C3)Cl
InChI=1SC20H19ClN4O4c21157513(6815)14(1119(27)28)122218(26)9102520(29)16312417(16)232425h1814H912H2(H2226)(H2728)
MFCD12925873
O=C(CCn1nnc2c(c1=O)cccc2)NC(C@@H)(c1ccc(cc1)Cl)CC(=O)O
ZINC000013624894
ZINC000020426247
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