Vitas-M small molecule compound
tetramethyl 5',5',9'-trimethyl-6'-[(4-methylphenyl)carbonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK788998
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1ccc(cc1)C)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 C33H31NO9S3 MW 681.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO9S3/c1-16-9-12-18(13-10-16)27(35)34-20-14-11-17(2)15-19(20)21-26(32(34,3)4)44-23(29(37)41-6)22(28(36)40-5)33(21)45-24(30(38)42-7)25(46-33)31(39)43-8/h9-15H,1-8H3InChIKey
SDDRUPICUYMFAQ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C)C4=C(C2(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H31NO9S3c11691218(131016)27(35)3420141117(2)1519(20)2126(32(343)4)4423(29(37)416)22(28(36)405)33(21)4524(30(38)427)25(4633)31(39)438h915H18H3
MFCD00643378
tetramethyl559trimethyl6((4methylphenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(4methylbenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(4methylbenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097994467
ZINC97994467
Check stock
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Check stock on Vitas-MAvailable files
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