Vitas-M small molecule compound
ethyl {2-[N''-(biphenyl-4-ylcarbonyl)-N'-(3-chloro-2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
Catalog ID
STK508522
SMILES CCOC(=O)Cc1[nH]c(N/C(=N\C(=O)c2ccc(cc2)c2ccccc2)/Nc2cccc(c2C)Cl)nc(=O)c1
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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 C29H26ClN5O4 MW 544.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN5O4/c1-3-39-26(37)17-22-16-25(36)33-28(31-22)35-29(32-24-11-7-10-23(30)18(24)2)34-27(38)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h4-16H,3,17H2,1-2H3,(H3,31,32,33,34,35,36,38)InChIKey
WHNWBASJEYHRQY-UHFFFAOYSA-NSynonyms
CCOC(=O)Cc1(nH)c(NC(=NC(=O)c2ccc(cc2)c2ccccc2)Nc2cccc(c2C)Cl)nc(=O)c1
CCOC(=O)CC1=CC(=O)N=C(N1)NC(=NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)NC4=C(C(=CC=C4)Cl)C
ethyl(2(N(biphenyl4ylcarbonyl)N(3chloro2methylphenyl)carbamimidamido)6oxo36dihydropyrimidin4yl)acetate
ETHYL2(2((N(3CHLORO2METHYLPHENYL)N(4PHENYLBENZOYL)CARBAMIMIDOYL)AMINO)4OXO1HPYRIMIDIN6YL)ACETATE
InChI=1SC29H26ClN5O4c133926(37)17221625(36)3328(3122)3529(32241171023(30)18(24)2)3427(38)21141220(131521)198546919h416H317H212H3(H331323334353638)
MFCD05989691
ZINC000002853266
ZINC2853266
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