Vitas-M small molecule compound
methyl 4-(3-{(Z)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate
Catalog ID
STK196897
SMILES COC(=O)c1ccc(c(c1)C)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
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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 C26H21Cl2N3O4S MW 542.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21Cl2N3O4S/c1-13-10-16(25(34)35-4)8-9-20(13)30-14(2)11-17(15(30)3)12-18-23(32)29-26(36)31(24(18)33)21-7-5-6-19(27)22(21)28/h5-12H,1-4H3,(H,29,32,36)/b18-12-InChIKey
ZWIWOSRVFGKQDH-PDGQHHTCSA-NSynonyms
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
COC(=O)c1ccc(c(c1)C)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
InChI=1SC26H21Cl2N3O4Sc1131016(25(34)354)8920(13)3014(2)1117(15(30)3)121823(32)2926(36)31(24(18)33)2175619(27)22(21)28h512H14H3(H293236)b1812
METHYL4(3((Z)(1(23DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)3METHYLBENZOATE
METHYL4(3((Z)(1(23DICHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOATE
MFCD03226638
ZINC000097960965
ZINC97960965
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.