Vitas-M small molecule compound

7-chloro-9'-(4-hydroxy-3-methoxyphenyl)-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
STL550480
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=C(C1=O)C(c1ccc(c(c1)OC)O)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 C26H23ClN4O7 MW 538.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O7/c1-11-7-13-18(21(31-25(30-13)28-10-29-31)12-5-6-14(32)15(8-12)35-2)23(33)26(11)24(34)19-16(36-3)9-17(37-4)20(27)22(19)38-26/h5-6,8-11,21,32H,7H2,1-4H3,(H,28,29,30)
InChIKey
AIBJFLCOAJBTAI-UHFFFAOYSA-N
Synonyms

135639904
7chloro9(4hydroxy3methoxyphenyl)46dimethoxy6methyl1569tetrahydro3H8Hspiro(1benzofuran27(124)triazolo(51b)quinazoline)38dione
7chloro9(4hydroxy3methoxyphenyl)46dimethoxy6methylspiro(1benzofuran274569tetrahydro(124)triazolo(51b)quinazoline)38dione
InChI=1SC26H23ClN4O7c11171318(21(3125(3013)28102931)125614(32)15(812)352)23(33)26(11)24(34)1916(363)917(374)20(27)22(19)3826h568112132H7H214H3(H282930)
MFCD31757612
ZINC000604403846
ZINC000888090084

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Available files

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