Vitas-M small molecule compound
3-(3-{(Z)-[1-(2,5-diethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid
Catalog ID
STK170363
SMILES CCOc1ccc(cc1N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2cccc(c2C)C(=O)O)C)/C1=O)OCC
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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 C29H29N3O7 MW 531.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O7/c1-6-38-20-11-12-25(39-7-2)24(15-20)32-27(34)22(26(33)30-29(32)37)14-19-13-16(3)31(18(19)5)23-10-8-9-21(17(23)4)28(35)36/h8-15H,6-7H2,1-5H3,(H,35,36)(H,30,33,37)/b22-14-InChIKey
LXOMPEKLTYOVSJ-HMAPJEAMSA-NSynonyms
3(3((Z)(1(25DIETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)2METHYLBENZOICACID
3(3((Z)(1(25DIETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
CCOC1=CC(=C(C=C1)OCC)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC(=C4C)C(=O)O)C)C(=O)NC2=O
CCOc1ccc(cc1N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2C)C(=O)O)C)C1=O)OCC
InChI=1SC29H29N3O7c163820111225(3972)24(1520)3227(34)22(26(33)3029(32)37)14191316(3)31(18(19)5)23108921(17(23)4)28(35)36h815H67H215H3(H3536)(H303337)b2214
MFCD02905044
ZINC000097960534
ZINC97960534
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.