Vitas-M small molecule compound
tetramethyl 6'-[(3-methoxyphenyl)carbonyl]-5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK076230
SMILES COc1cccc(c1)C(=O)N1c2c(C)cccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)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 C33H31NO10S3 MW 697.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO10S3/c1-16-11-9-14-19-20-26(32(2,3)34(22(16)19)27(35)17-12-10-13-18(15-17)40-4)45-23(29(37)42-6)21(28(36)41-5)33(20)46-24(30(38)43-7)25(47-33)31(39)44-8/h9-15H,1-8H3InChIKey
BRJXAKGTCUXMLJ-UHFFFAOYSA-NSynonyms
CC1=CC=CC2=C1N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)C5=CC(=CC=C5)OC
COc1cccc(c1)C(=O)N1c2c(C)cccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H31NO10S3c11611914192026(32(23)34(22(16)19)27(35)1712101318(1517)404)4523(29(37)426)21(28(36)415)33(20)4624(30(38)437)25(4733)31(39)448h915H18H3
MFCD01565736
STK076230
tetramethyl6((3methoxyphenyl)carbonyl)557trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3methoxybenzoyl)557trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3methoxybenzoyl)557trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425642
ZINC08425642
ZINC8425642
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.