Vitas-M small molecule compound
tetramethyl 9'-methoxy-5',5'-dimethyl-6'-(phenoxyacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK012874
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)COc1ccccc1)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 C33H31NO11S3 MW 713.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO11S3/c1-32(2)27-22(19-15-18(40-3)13-14-20(19)34(32)21(35)16-45-17-11-9-8-10-12-17)33(23(28(36)41-4)24(46-27)29(37)42-5)47-25(30(38)43-6)26(48-33)31(39)44-7/h8-15H,16H2,1-7H3InChIKey
SARRQGCCZQOSGV-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)COC4=CC=CC=C4)C=CC(=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)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)COc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H31NO11S3c132(2)2722(191518(403)131420(19)34(32)21(35)1645171198101217)33(23(28(36)414)24(4627)29(37)425)4725(30(38)436)26(4833)31(39)447h815H16H217H3
MFCD01859114
STK012874
tetramethyl9methoxy55dimethyl6(2phenoxyacetyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(2phenoxyacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(phenoxyacetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150388523
ZINC150388523
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.