Vitas-M small molecule compound
ethyl (3-{(E)-[1-(2-chlorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STL417091
SMILES CCOC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccccc1Cl
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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 C24H20ClN3O5 MW 465.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O5/c1-2-33-21(29)14-27-12-16(17-8-4-6-10-20(17)27)11-18-22(30)26-24(32)28(23(18)31)13-15-7-3-5-9-19(15)25/h3-12H,2,13-14H2,1H3,(H,26,30,32)/b18-11+InChIKey
ITRLDRQUSRUCTC-WOJGMQOQSA-NSynonyms
CCOC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4Cl
CCOC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1Cl
ethyl(3((E)(1(2chlorobenzyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetate
ETHYL2(3((E)(1((2CHLOROPHENYL)METHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
InChI=1SC24H20ClN3O5c123321(29)14271216(178461020(17)27)111822(30)2624(32)28(23(18)31)1315735919(15)25h312H21314H21H3(H263032)b1811+
MFCD03993841
ZINC000016264973
ZINC16264973
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