Vitas-M small molecule compound
(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL044472
SMILES CCCCN1C(=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 C16H16N4O2S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2S/c1-2-3-8-20-15(22)10(14(21)19-16(20)23)9-13-17-11-6-4-5-7-12(11)18-13/h4-7,9H,2-3,8H2,1H3,(H,17,18)(H,19,21,23)/b10-9-InChIKey
HEYWPQQOXFQVQF-KTKRTIGZSA-NSynonyms
(5Z)5(1HBENZIMIDAZOL2YLMETHYLIDENE)1BUTYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(1Hbenzimidazol2ylmethylidene)1butyl2sulfanylpyrimidine46(1H5H)dione
5(1HBENZOIMIDAZOL2YLMETHYLENE)1BUTYL2THIOXODIHYDROPYRIMIDINE46DIONE
CCCCN1C(=NC(=O)C(=Cc2nc3c((nH)2)cccc3)C1=O)S
CCCCN1C(=O)C(=CC2=NC3=CC=CC=C3N2)C(=O)NC1=S
InChI=1SC16H16N4O2Sc12382015(22)10(14(21)1916(20)23)9131711645712(11)1813h479H238H21H3(H1718)(H192123)b109
MFCD03805810
ZINC000006783090
ZINC06783090
ZINC6783090
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