Vitas-M small molecule compound

7-chloro-5'-(2,4-dimethoxyphenyl)-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-1',5',8',9'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4'(3'H)-trione

Catalog ID
STL550301
SMILES COc1ccc(c(c1)OC)C1c2c(N=C3C1=C(O)C1(C(C3)C)Oc3c(C1=O)c(OC)cc(c3Cl)OC)n(C)c(=O)n(c2=O)C

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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 C31H30ClN3O9 MW 624.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O9/c1-13-10-16-21(26(36)31(13)27(37)22-18(42-6)12-19(43-7)24(32)25(22)44-31)20(15-9-8-14(40-4)11-17(15)41-5)23-28(33-16)34(2)30(39)35(3)29(23)38/h8-9,11-13,20,36H,10H2,1-7H3
InChIKey
DLKJOZNHJHLRFM-UHFFFAOYSA-N
Synonyms

7chloro5(24dimethoxyphenyl)6hydroxy46dimethoxy138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC31H30ClN3O9c113101621(26(36)31(13)27(37)2218(426)1219(437)24(32)25(22)4431)20(159814(404)1117(15)415)2328(3316)34(2)30(39)35(3)29(23)38h8911132036H10H217H3
MFCD31757508
ZINC000888089030
ZINC000888089033

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Available files

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