Vitas-M small molecule compound
(2S,7'R)-7-chloro-4'-(2,3-dihydro-1,4-benzodioxin-6-yl)-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
STL550878
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1ccc2c(c1)OCCO2)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 C27H24ClNO8 MW 525.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClNO8/c1-12-8-15-21(14(10-20(30)29-15)13-4-5-16-17(9-13)36-7-6-35-16)25(31)27(12)26(32)22-18(33-2)11-19(34-3)23(28)24(22)37-27/h4-5,9,11-12,14H,6-8,10H2,1-3H3,(H,29,30)/t12-,14?,27+/m1/s1InChIKey
GHJGFCZZGMAJFN-UYWAQXBHSA-NSynonyms
(2~(S)7~(R))7chloro4(23dihydro14benzodioxin6yl)46dimethoxy7methylspiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)7chloro4(23dihydro14benzodioxin6yl)46dimethoxy7methyl3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
(2S7R)7chloro4(23dihydrobenzo(b)(14)dioxin6yl)46dimethoxy7methyl3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
129894793
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1ccc2c(c1)OCCO2)Cl
InChI=1SC27H24ClNO8c11281521(14(1020(30)2915)13451617(913)36763516)25(31)27(12)26(32)2218(332)1119(343)23(28)24(22)3727h459111214H6810H213H3(H2930)t1214?27+m1s1
ZINC000524729151
ZINC000524729152
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