Vitas-M small molecule compound
N-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1-methyl-1H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STK625083
SMILES O=C(C1COc2c(O1)cccc2)Nc1ccc2c(c1)nc(n2C)CSc1nc(C)cc(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 C24H23N5O3S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O3S/c1-14-10-15(2)26-24(25-14)33-13-22-28-17-11-16(8-9-18(17)29(22)3)27-23(30)21-12-31-19-6-4-5-7-20(19)32-21/h4-11,21H,12-13H2,1-3H3,(H,27,30)InChIKey
BWIKQELYHOTVEK-UHFFFAOYSA-NSynonyms
929963-85-9929963859
CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4COC5=CC=CC=C5O4)C
InChI=1SC24H23N5O3Sc1141015(2)2624(2514)33132228171116(8918(17)29(22)3)2723(30)21123119645720(19)3221h41121H1213H213H3(H2730)
MFCD09790042
N(2(((46dimethylpyrimidin2yl)sulfanyl)methyl)1methyl1Hbenzimidazol5yl)23dihydro14benzodioxine2carboxamide
N(2(((46dimethylpyrimidin2yl)thio)methyl)1methyl1Hbenzo(d)imidazol5yl)23dihydrobenzo(b)(14)dioxine2carboxamide
N(2((46dimethylpyrimidin2yl)sulfanylmethyl)1methylbenzimidazol5yl)23dihydro14benzodioxine3carboxamide
ZINC000008992734
ZINC000008992735
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