Vitas-M small molecule compound
4-{5-[(2S,7'R)-7-chloro-4,6-dimethoxy-7'-methyl-2',3,5'-trioxo-1',3',4',5',7',8'-hexahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinolin]-4'-yl]furan-2-yl}benzoic acid
Catalog ID
STL550295
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(o1)c1ccc(cc1)C(=O)O)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 C30H24ClNO9 MW 577.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClNO9/c1-13-10-17-23(27(34)30(13)28(35)24-20(38-2)12-21(39-3)25(31)26(24)41-30)16(11-22(33)32-17)19-9-8-18(40-19)14-4-6-15(7-5-14)29(36)37/h4-9,12-13,16H,10-11H2,1-3H3,(H,32,33)(H,36,37)/t13-,16?,30+/m1/s1InChIKey
ZZLZWCFOROIOKL-IZGHQDOTSA-NSynonyms
129895749
4(5((2~(S)7~(R))7chloro46dimethoxy7methyl235trioxospiro(1benzofuran263478tetrahydro1~(H)quinoline)4yl)furan2yl)benzoicacid
4(5((2S7R)7chloro46dimethoxy7methyl235trioxo134578hexahydro2H3Hspiro(1benzofuran26quinolin)4yl)furan2yl)benzoicacid
4(5((2S7R)7chloro46dimethoxy7methyl235trioxo234578hexahydro1H3Hspiro(benzofuran26quinolin)4yl)furan2yl)benzoicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(o1)c1ccc(cc1)C(=O)O)Cl
InChI=1SC30H24ClNO9c113101723(27(34)30(13)28(35)2420(382)1221(393)25(31)26(24)4130)16(1122(33)3217)199818(4019)144615(7514)29(36)37h49121316H1011H213H3(H3233)(H3637)t1316?30+m1s1
ZINC000524732167
ZINC000524732168
Check stock
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