Vitas-M small molecule compound
(5E)-1-(3-chloro-4-methylphenyl)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL371833
SMILES Cc1[nH]c(c(c1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)C)C
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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 C18H16ClN3O2S MW 373.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O2S/c1-9-4-5-13(8-15(9)19)22-17(24)14(16(23)21-18(22)25)7-12-6-10(2)20-11(12)3/h4-8,20H,1-3H3,(H,21,23,25)/b14-7+InChIKey
PWGQVUBEJCWHCM-VGOFMYFVSA-NSynonyms
(5E)1(3CHLORO4METHYLPHENYL)5((25DIMETHYL1HPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3chloro4methylphenyl)5((25dimethyl1Hpyrrol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
Cc1(nH)c(c(c1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)C)C
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(NC(=C3)C)C)C(=O)NC2=S)Cl
InChI=1SC18H16ClN3O2Sc194513(815(9)19)2217(24)14(16(23)2118(22)25)712610(2)2011(12)3h4820H13H3(H212325)b147+
MFCD03145292
ZINC000001151813
ZINC01151813
ZINC1151813
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