Vitas-M small molecule compound
methyl 3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)propanoate
Catalog ID
STL550624
SMILES COC(=O)CC(c1cc2cccc3c2n(c1=O)CC3)C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)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 C31H28ClNO9 MW 594.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClNO9/c1-14-10-19(34)23(28(36)31(14)29(37)24-20(39-2)13-21(40-3)25(32)27(24)42-31)17(12-22(35)41-4)18-11-16-7-5-6-15-8-9-33(26(15)16)30(18)38/h5-7,11,13-14,17,34H,8-10,12H2,1-4H3InChIKey
TTZBQSJDQOCCEF-UHFFFAOYSA-NSynonyms
InChI=1SC31H28ClNO9c1141019(34)23(28(36)31(14)29(37)2420(392)1321(403)25(32)27(24)4231)17(1222(35)414)181116756158933(26(15)16)30(18)38h571113141734H81012H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)propanoate
MFCD31757687
ZINC000888089623
ZINC000888089626
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