Vitas-M small molecule compound
9'-(1,3-benzodioxol-5-yl)-7-chloro-4,6-dimethoxy-6'-methyl-1',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazoline]-3,8'-dione
Catalog ID
STL550128
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=C(C1=O)C(c1ccc3c(c1)OCO3)n1c(=N2)nc[nH]1)Cl
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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 C26H21ClN4O7 MW 536.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O7/c1-11-6-13-18(21(31-25(30-13)28-9-29-31)12-4-5-14-15(7-12)37-10-36-14)23(32)26(11)24(33)19-16(34-2)8-17(35-3)20(27)22(19)38-26/h4-5,7-9,11,21H,6,10H2,1-3H3,(H,28,29,30)InChIKey
MRYCWJLVEASATH-UHFFFAOYSA-NSynonyms
135639881
9(13benzodioxol5yl)7chloro46dimethoxy6methyl1569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
9(13benzodioxol5yl)7chloro46dimethoxy6methylspiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
InChI=1SC26H21ClN4O7c11161318(21(3125(3013)2892931)12451415(712)37103614)23(32)26(11)24(33)1916(342)817(353)20(27)22(19)3826h45791121H610H213H3(H282930)
MFCD31757412
ZINC000888089545
ZINC000888089548
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