Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-9'-(7-methoxy-1,3-benzodioxol-5-yl)-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
STL551031
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=C(C1=O)C(c1cc(OC)c3c(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 C27H23ClN4O8 MW 566.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O8/c1-11-5-13-18(24(33)27(11)25(34)19-14(35-2)8-15(36-3)20(28)23(19)40-27)21(32-26(31-13)29-9-30-32)12-6-16(37-4)22-17(7-12)38-10-39-22/h6-9,11,21H,5,10H2,1-4H3,(H,29,30,31)InChIKey
LFRDHHHTCDLSSV-UHFFFAOYSA-NSynonyms
135639936
7chloro46dimethoxy9(7methoxy13benzodioxol5yl)6methyl1569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
7chloro46dimethoxy9(7methoxy13benzodioxol5yl)6methylspiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
InChI=1SC27H23ClN4O8c11151318(24(33)27(11)25(34)1914(352)815(363)20(28)23(19)4027)21(3226(3113)2993032)12616(374)2217(712)38103922h691121H510H214H3(H293031)
MFCD31757908
ZINC000888088673
ZINC000888088676
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