Vitas-M small molecule compound
(2S,7'R)-4'-(1,3-benzodioxol-5-yl)-7-chloro-4,6-dimethoxy-7'-methyl-3',4',7',8'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinoline]-2',3,5'(1'H)-trione
Catalog ID
STL549414
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1ccc2c(c1)OCO2)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 C26H22ClNO8 MW 511.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO8/c1-11-6-14-20(13(8-19(29)28-14)12-4-5-15-16(7-12)35-10-34-15)24(30)26(11)25(31)21-17(32-2)9-18(33-3)22(27)23(21)36-26/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,28,29)/t11-,13?,26+/m1/s1InChIKey
JLPIORYPTNGBLD-LZLPAYPLSA-NSynonyms
(2~(S)7~(R))4(13benzodioxol5yl)7chloro46dimethoxy7methylspiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)4(13benzodioxol5yl)7chloro46dimethoxy7methyl3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
(2S7R)4(benzo(d)(13)dioxol5yl)7chloro46dimethoxy7methyl3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
129895175
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1ccc2c(c1)OCO2)Cl
InChI=1SC26H22ClNO8c11161420(13(819(29)2814)12451516(712)35103415)24(30)26(11)25(31)2117(322)918(333)22(27)23(21)3626h45791113H6810H213H3(H2829)t1113?26+m1s1
ZINC000524730449
ZINC000524730450
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