Vitas-M small molecule compound
tetramethyl 9'-ethoxy-5',5'-dimethyl-6'-(phenylcarbonyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK059646
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccccc2)(C)C)SC(=C(C21SC(=C(S2)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/c1-8-44-18-14-15-20-19(16-18)21-26(32(2,3)34(20)27(35)17-12-10-9-11-13-17)45-23(29(37)41-5)22(28(36)40-4)33(21)46-24(30(38)42-6)25(47-33)31(39)43-7/h9-16H,8H2,1-7H3InChIKey
CKCLVQLZSSKKOB-UHFFFAOYSA-NSynonyms
CCOC1=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)C(=O)C5=CC=CC=C5
CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccccc2)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H31NO10S3c18441814152019(1618)2126(32(23)34(20)27(35)1712109111317)4523(29(37)415)22(28(36)404)33(21)4624(30(38)426)25(4733)31(39)437h916H8H217H3
MFCD00521281
STK059646
tetramethyl6benzoyl9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzoyl9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(phenylcarbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000096022908
ZINC96022908
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.