Vitas-M small molecule compound
(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-hexyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL037258
SMILES CCCCCCN1C(=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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-2-3-4-7-10-22-17(24)12(16(23)21-18(22)25)11-15-19-13-8-5-6-9-14(13)20-15/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,19,20)(H,21,23,25)/b12-11-InChIKey
IAHSJSYIQARQNP-QXMHVHEDSA-NSynonyms
(5Z)5(1HBENZIMIDAZOL2YLMETHYLIDENE)1HEXYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(1Hbenzimidazol2ylmethylidene)1hexyl2sulfanylpyrimidine46(1H5H)dione
5(1HBENZOIMIDAZOL2YLMETHYLENE)1HEXYL2THIOXODIHYDROPYRIMIDINE46DIONE
CCCCCCN1C(=NC(=O)C(=Cc2nc3c((nH)2)cccc3)C1=O)S
CCCCCCN1C(=O)C(=CC2=NC3=CC=CC=C3N2)C(=O)NC1=S
InChI=1SC18H20N4O2Sc12347102217(24)12(16(23)2118(22)25)11151913856914(13)2015h568911H24710H21H3(H1920)(H212325)b1211
MFCD03818130
ZINC000006782987
ZINC06782987
ZINC6782987
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