Vitas-M small molecule compound
(5E)-1-(3,5-dichlorophenyl)-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK333077
SMILES Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCCC2)/C1=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 C25H20Cl2N4O3S MW 527.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N4O3S/c26-16-10-17(27)12-18(11-16)31-24(34)20(23(33)28-25(31)35)9-15-13-30(21-6-2-1-5-19(15)21)14-22(32)29-7-3-4-8-29/h1-2,5-6,9-13H,3-4,7-8,14H2,(H,28,33,35)/b20-9+InChIKey
APICNQWSUMRFFM-AWQFTUOYSA-NSynonyms
(5E)1(35dichlorophenyl)5((1(2oxo2(pyrrolidin1yl)ethyl)1Hindol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(35dichlorophenyl)5((1(2oxo2pyrrolidin1ylethyl)indol3yl)methylidene)2sulfanylidene13diazinane46dione
C1CCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)N(C4=O)C5=CC(=CC(=C5)Cl)Cl
Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)CC(=O)N2CCCC2)C1=O
InChI=1SC25H20Cl2N4O3Sc26161017(27)1218(1116)3124(34)20(23(33)2825(31)35)9151330(21621519(15)21)1422(32)29734829h1256913H347814H2(H283335)b209+
MFCD03306260
ZINC000097962697
ZINC97962697
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