Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372533
SMILES COCCn1c(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 C20H19Cl2N3O3S MW 452.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N3O3S/c1-11-9-13(12(2)24(11)7-8-28-3)10-14-18(26)23-20(29)25(19(14)27)16-6-4-5-15(21)17(16)22/h4-6,9-10H,7-8H2,1-3H3,(H,23,26,29)/b14-10+InChIKey
ISBIWNOZODGWKT-GXDHUFHOSA-NSynonyms
(5E)1(23dichlorophenyl)5((1(2methoxyethyl)25dimethyl1Hpyrrol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(23dichlorophenyl)5((1(2methoxyethyl)25dimethylpyrrol3yl)methylidene)2sulfanylidene13diazinane46dione
CC1=CC(=C(N1CCOC)C)C=C2C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl
COCCn1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
InChI=1SC20H19Cl2N3O3Sc111913(12(2)24(11)78283)101418(26)2320(29)25(19(14)27)1664515(21)17(16)22h46910H78H213H3(H232629)b1410+
MFCD04235143
ZINC000033423812
ZINC33423812
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