Vitas-M small molecule compound
(2S,7'R)-7-chloro-4,6-dimethoxy-7'-methyl-4'-(thiophen-3-yl)-3',4',7',8'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinoline]-2',3,5'(1'H)-trione
Catalog ID
STL550209
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1ccsc1)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 C23H20ClNO6S MW 473.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClNO6S/c1-10-6-13-17(12(7-16(26)25-13)11-4-5-32-9-11)21(27)23(10)22(28)18-14(29-2)8-15(30-3)19(24)20(18)31-23/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,26)/t10-,12?,23+/m1/s1InChIKey
WLSUPAILDAYICY-AATJGMJZSA-NSynonyms
(2~(S)7~(R))7chloro46dimethoxy7methyl4thiophen3ylspiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)7chloro46dimethoxy7methyl4(thiophen3yl)3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
(2S7R)7chloro46dimethoxy7methyl4(thiophen3yl)3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
129894875
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1ccsc1)Cl
InChI=1SC23H20ClNO6Sc11061317(12(716(26)2513)114532911)21(27)23(10)22(28)1814(292)815(303)19(24)20(18)3123h4581012H67H213H3(H2526)t1012?23+m1s1
ZINC000524729515
ZINC000524729516
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