Vitas-M small molecule compound
tetramethyl 5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK018832
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)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 C32H29NO9S3 MW 667.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO9S3/c1-31(2)26-21(18-14-10-11-15-19(18)33(31)20(34)16-17-12-8-7-9-13-17)32(22(27(35)39-3)23(43-26)28(36)40-4)44-24(29(37)41-5)25(45-32)30(38)42-6/h7-15H,16H2,1-6H3InChIKey
VVNJNCONZYORMR-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)CC4=CC=CC=C4)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)(C@)2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC32H29NO9S3c131(2)2621(181410111519(18)33(31)20(34)1617128791317)32(22(27(35)393)23(4326)28(36)404)4424(29(37)415)25(4532)30(38)426h715H16H216H3
MFCD00616854
STK018832
tetramethyl55dimethyl6(2phenylacetyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(2phenylacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(phenylacetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097996168
ZINC97996168
Check stock
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Check stock on Vitas-MAvailable files
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