Vitas-M small molecule compound
tetramethyl 5',5'-dimethyl-6'-(phenylcarbonyl)-9'-[(phenylcarbonyl)oxy]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK032825
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(ccc2N(C1(C)C)C(=O)c1ccccc1)OC(=O)c1ccccc1)C(=O)OC)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 C38H31NO11S3 MW 773.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31NO11S3/c1-37(2)30-25(38(26(33(42)46-3)27(51-30)34(43)47-4)52-28(35(44)48-5)29(53-38)36(45)49-6)23-19-22(50-32(41)21-15-11-8-12-16-21)17-18-24(23)39(37)31(40)20-13-9-7-10-14-20/h7-19H,1-6H3InChIKey
RNJVJQIGRQUIAF-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)C4=CC=CC=C4)C=CC(=C3)OC(=O)C5=CC=CC=C5)C6(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S6)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(ccc2N(C1(C)C)C(=O)c1ccccc1)OC(=O)c1ccccc1)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC38H31NO11S3c137(2)3025(38(26(33(42)463)27(5130)34(43)474)5228(35(44)485)29(5338)36(45)496)231922(5032(41)2115118121621)171824(23)39(37)31(40)201397101420h719H16H3
MFCD01952906
STK032825
tetramethyl55dimethyl6(phenylcarbonyl)9((phenylcarbonyl)oxy)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzoyl9(benzoyloxy)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzoyl9benzoyloxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150411365
ZINC150411365
Check stock
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Check stock on Vitas-MAvailable files
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