Vitas-M small molecule compound
7-chloro-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-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
STL549815
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc2c(c1)OCCO2)c(=O)n(c(=O)n3C)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 C31H28ClN3O9 MW 622.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O9/c1-13-10-15-21(26(36)31(13)27(37)22-18(40-4)12-19(41-5)24(32)25(22)44-31)20(14-6-7-16-17(11-14)43-9-8-42-16)23-28(33-15)34(2)30(39)35(3)29(23)38/h6-7,11-13,20,36H,8-10H2,1-5H3InChIKey
DDPLWJVODFTWIK-UHFFFAOYSA-NSynonyms
7chloro5(23dihydro14benzodioxin6yl)6hydroxy46dimethoxy138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC31H28ClN3O9c113101521(26(36)31(13)27(37)2218(404)1219(415)24(32)25(22)4431)20(14671617(1114)43984216)2328(3315)34(2)30(39)35(3)29(23)38h6711132036H810H215H3
MFCD31757222
ZINC000888089447
ZINC000888089450
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