Vitas-M small molecule compound
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(propan-2-yl)-1H-benzimidazol-6-yl]-3-(2,3,4-trimethoxyphenyl)propanamide
Catalog ID
STL550551
SMILES COc1c(ccc(c1OC)OC)C(c1c(O)cc(oc1=O)C)CC(=O)Nc1ccc2c(c1)[nH]c(n2)C(C)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 C28H31N3O7 MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O7/c1-14(2)27-30-19-9-7-16(12-20(19)31-27)29-23(33)13-18(24-21(32)11-15(3)38-28(24)34)17-8-10-22(35-4)26(37-6)25(17)36-5/h7-12,14,18,32H,13H2,1-6H3,(H,29,33)(H,30,31)InChIKey
JYJSMLHJENINMW-UHFFFAOYSA-NSynonyms
129894818
3(4hydroxy6methyl2oxo2Hpyran3yl)N(2(propan2yl)1Hbenzimidazol6yl)3(234trimethoxyphenyl)propanamide
3(4hydroxy6methyl2oxo2Hpyran3yl)N(2isopropyl1Hbenzo(d)imidazol5yl)3(234trimethoxyphenyl)propanamide
3(4hydroxy6methyl2oxopyran3yl)~(N)(2propan2yl3~(H)benzimidazol5yl)3(234trimethoxyphenyl)propanamide
COc1c(ccc(c1OC)OC)C(c1c(O)cc(oc1=O)C)CC(=O)Nc1ccc2c(c1)nc((nH)2)C(C)C
InChI=1SC28H31N3O7c114(2)2730199716(1220(19)3127)2923(33)1318(2421(32)1115(3)3828(24)34)1781022(354)26(376)25(17)365h712141832H13H216H3(H2933)(H3031)
MFCD31757645
ZINC000524729213
ZINC000524729214
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