Vitas-M small molecule compound
tetramethyl 6'-benzyl-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK098399
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)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 C32H31NO8S3 MW 653.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO8S3/c1-17-13-14-20-19(15-17)21-26(31(2,3)33(20)16-18-11-9-8-10-12-18)42-23(28(35)39-5)22(27(34)38-4)32(21)43-24(29(36)40-6)25(44-32)30(37)41-7/h8-15H,16H2,1-7H3InChIKey
FPMMVYWLLNGKEU-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)CC5=CC=CC=C5
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC32H31NO8S3c11713142019(1517)2126(31(23)33(20)16181198101218)4223(28(35)395)22(27(34)384)32(21)4324(29(36)406)25(4432)30(37)417h815H16H217H3
MFCD01872417
STK098399
tetramethyl6benzyl559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzyl559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzyl559trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008426442
ZINC08426442
ZINC8426442
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.