Vitas-M small molecule compound
(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-(4-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL040235
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C/c2nc3c([nH]2)cccc3)/C1=O)S
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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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c1-2-27-13-9-7-12(8-10-13)24-19(26)14(18(25)23-20(24)28)11-17-21-15-5-3-4-6-16(15)22-17/h3-11H,2H2,1H3,(H,21,22)(H,23,25,28)/b14-11-InChIKey
PMFHYEIUCWEMMH-KAMYIIQDSA-NSynonyms
(5Z)5(1HBENZIMIDAZOL2YLMETHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(1Hbenzimidazol2ylmethylidene)1(4ethoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=NC4=CC=CC=C4N3)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=NC(=O)C(=Cc2nc3c((nH)2)cccc3)C1=O)S
InChI=1SC20H16N4O3Sc1227139712(81013)2419(26)14(18(25)2320(24)28)11172115534616(15)2217h311H2H21H3(H2122)(H232528)b1411
MFCD03809480
ZINC000004470047
ZINC04470047
ZINC4470047
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