Vitas-M small molecule compound
methyl 4-(7-chloro-4,6-dimethoxy-6'-methyl-3,8'-dioxo-1',5',6',9'-tetrahydro-3H,8'H-spiro[1-benzofuran-2,7'-[1,2,4]triazolo[5,1-b]quinazolin]-9'-yl)benzoate
Catalog ID
STL550191
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=C(C1=O)C(c1ccc(cc1)C(=O)OC)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 C27H23ClN4O7 MW 550.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O7/c1-12-9-15-18(21(32-26(31-15)29-11-30-32)13-5-7-14(8-6-13)25(35)38-4)23(33)27(12)24(34)19-16(36-2)10-17(37-3)20(28)22(19)39-27/h5-8,10-12,21H,9H2,1-4H3,(H,29,30,31)InChIKey
ODOYDEALTOSLGT-UHFFFAOYSA-NSynonyms
135639888
InChI=1SC27H23ClN4O7c11291518(21(3226(3115)29113032)135714(8613)25(35)384)23(33)27(12)24(34)1916(362)1017(373)20(28)22(19)3927h58101221H9H214H3(H293031)
methyl4(7chloro46dimethoxy6methyl38dioxo1569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazolin)9yl)benzoate
methyl4(7chloro46dimethoxy6methyl38dioxospiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)9yl)benzoate
MFCD31757447
ZINC000604405007
ZINC000888090691
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