Vitas-M small molecule compound
(2S,7'R)-7-chloro-4,6-dimethoxy-7'-methyl-4'-(1-methyl-1H-pyrazol-4-yl)-3',4',7',8'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinoline]-2',3,5'(1'H)-trione
Catalog ID
STL550461
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1cnn(c1)C)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 C23H22ClN3O6 MW 471.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O6/c1-10-5-13-17(12(6-16(28)26-13)11-8-25-27(2)9-11)21(29)23(10)22(30)18-14(31-3)7-15(32-4)19(24)20(18)33-23/h7-10,12H,5-6H2,1-4H3,(H,26,28)/t10-,12?,23+/m1/s1InChIKey
OEZWNWIWYGTDSP-AATJGMJZSA-NSynonyms
(2~(S)7~(R))7chloro46dimethoxy7methyl4(1methylpyrazol4yl)spiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)7chloro46dimethoxy7methyl4(1methyl1Hpyrazol4yl)3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
(2S7R)7chloro46dimethoxy7methyl4(1methyl1Hpyrazol4yl)3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
129895052
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1cnn(c1)C)Cl
InChI=1SC23H22ClN3O6c11051317(12(616(28)2613)1182527(2)911)21(29)23(10)22(30)1814(313)715(324)19(24)20(18)3323h71012H56H214H3(H2628)t1012?23+m1s1
ZINC000524729915
ZINC000524729916
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