Vitas-M small molecule compound
2-{[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]methyl}-1H-benzimidazole-5-carboxylic acid
Catalog ID
STK977168
SMILES CCCc1nc(SCc2[nH]c3c(n2)cc(cc3)C(=O)O)nc(c1)O
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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 C16H16N4O3S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3S/c1-2-3-10-7-14(21)20-16(17-10)24-8-13-18-11-5-4-9(15(22)23)6-12(11)19-13/h4-7H,2-3,8H2,1H3,(H,18,19)(H,22,23)(H,17,20,21)InChIKey
DXXIMUQOOOCKLN-UHFFFAOYSA-NSynonyms
941239-10-72(((4hydroxy6propylpyrimidin2yl)sulfanyl)methyl)1Hbenzimidazole5carboxylicacid
2(((4hydroxy6propylpyrimidin2yl)thio)methyl)1Hbenzo(d)imidazole5carboxylicacid
2((4HYDROXY6PROPYLPYRIMIDIN2YLTHIO)METHYL)BENZIMIDAZOLE5CARBOXYLICACID
2((4oxo6propyl1Hpyrimidin2yl)sulfanylmethyl)3Hbenzimidazole5carboxylicacid
941239107
CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)C(=O)O
CCCc1nc(SCc2(nH)c3c(n2)cc(cc3)C(=O)O)nc(c1)O
InChI=1SC16H16N4O3Sc12310714(21)2016(1710)248131811549(15(22)23)612(11)1913h47H238H21H3(H1819)(H2223)(H172021)
MFCD09455000
ZINC000016678161
ZINC16678161
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