Vitas-M small molecule compound
propan-2-yl 5-{[(2S,8'R)-7-chloro-4,6-dimethoxy-1',8'-dimethyl-2',3,4',6'-tetraoxo-1',6',8',9'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-3'(4'H)-yl]methyl}furan-2-carboxylate
Catalog ID
STL552182
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)Cc2c(C1=O)cc1c(n2)n(C)c(=O)n(c1=O)Cc1ccc(o1)C(=O)OC(C)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 C31H28ClN3O10 MW 638.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O10/c1-13(2)43-29(39)19-8-7-15(44-19)12-35-28(38)17-10-16-18(33-27(17)34(4)30(35)40)9-14(3)31(25(16)36)26(37)22-20(41-5)11-21(42-6)23(32)24(22)45-31/h7-8,10-11,13-14H,9,12H2,1-6H3/t14-,31+/m1/s1InChIKey
VPQNRKAVEUKGTP-YSVRNHBLSA-NSynonyms
135640460
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)Cc2c(C1=O)cc1c(n2)n(C)c(=O)n(c1=O)Cc1ccc(o1)C(=O)OC(C)C)Cl
InChI=1SC31H28ClN3O10c113(2)4329(39)198715(4419)123528(38)17101618(3327(17)34(4)30(35)40)914(3)31(25(16)36)26(37)2220(415)1121(426)23(32)24(22)4531h7810111314H912H216H3t1431+m1s1
isopropyl5(((2S8R)7chloro46dimethoxy18dimethyl2346tetraoxo89dihydro1H3Hspiro(benzofuran27pyrimido(45b)quinolin)3(2H4H6H)yl)methyl)furan2carboxylate
propan2yl5(((2~(S)8~(R))7chloro46dimethoxy18dimethyl2346tetraoxospiro(1benzofuran2789dihydropyrimido(45b)quinoline)3yl)methyl)furan2carboxylate
propan2yl5(((2S8R)7chloro46dimethoxy18dimethyl2346tetraoxo1689tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)3(4H)yl)methyl)furan2carboxylate
ZINC001772493054
Check stock
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Check stock on Vitas-MAvailable files
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