Vitas-M small molecule compound
N-(1-methyl-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STL350331
SMILES O=C(C1COc2c(O1)cccc2)Nc1ccc2c(c1)nc(n2C)CSc1nccc(n1)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 C23H21N5O3S MW 447.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O3S/c1-14-9-10-24-23(25-14)32-13-21-27-16-11-15(7-8-17(16)28(21)2)26-22(29)20-12-30-18-5-3-4-6-19(18)31-20/h3-11,20H,12-13H2,1-2H3,(H,26,29)InChIKey
MDXKIIJMSXKUSE-UHFFFAOYSA-NSynonyms
929820-42-8929820428
CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4COC5=CC=CC=C5O4
InChI=1SC23H21N5O3Sc1149102423(2514)32132127161115(7817(16)28(21)2)2622(29)20123018534619(18)3120h31120H1213H212H3(H2629)
MFCD09844094
N(1methyl2(((4methylpyrimidin2yl)sulfanyl)methyl)1Hbenzimidazol5yl)23dihydro14benzodioxine2carboxamide
N(1methyl2(((4methylpyrimidin2yl)thio)methyl)1Hbenzo(d)imidazol5yl)23dihydrobenzo(b)(14)dioxine2carboxamide
N(1methyl2((4methylpyrimidin2yl)sulfanylmethyl)benzimidazol5yl)23dihydro14benzodioxine3carboxamide
ZINC000009420623
ZINC000009420624
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