Vitas-M small molecule compound
tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK001786
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)C(N1C(=O)c3c(C1=O)cccc3)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
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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 C42H36N2O12S3 MW 856.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H36N2O12S3/c1-41(2)33-28(42(29(37(48)53-4)30(57-33)38(49)54-5)58-31(39(50)55-6)32(59-42)40(51)56-7)25-20-22(52-3)17-18-26(25)44(41)36(47)27(19-21-13-9-8-10-14-21)43-34(45)23-15-11-12-16-24(23)35(43)46/h8-18,20,27H,19H2,1-7H3InChIKey
PCMNVHIYRPYXFU-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)C=CC(=C3)OC)C7(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S7)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)C(N1C(=O)c3c(C1=O)cccc3)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC42H36N2O12S3c141(2)3328(42(29(37(48)534)30(5733)38(49)545)5831(39(50)556)32(5942)40(51)567)252022(523)171826(25)44(41)36(47)27(19211398101421)4334(45)231511121624(23)35(43)46h8182027H19H217H3
MFCD01171292
STK001786
tetramethyl6(2(13dioxo13dihydro2Hisoindol2yl)3phenylpropanoyl)9methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxoisoindol2yl)3phenylpropanoyl)9methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150360289
ZINC000150360290
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