Vitas-M small molecule compound
tetramethyl 5',5',7'-trimethyl-6'-[(4-nitrophenyl)carbonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK050458
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1C)C(=O)c1ccc(cc1)[N+](=O)[O-])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 C32H28N2O11S3 MW 712.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O11S3/c1-15-9-8-10-18-19-25(31(2,3)33(21(15)18)26(35)16-11-13-17(14-12-16)34(40)41)46-22(28(37)43-5)20(27(36)42-4)32(19)47-23(29(38)44-6)24(48-32)30(39)45-7/h8-14H,1-7H3InChIKey
YCEFFPDRMCHBPA-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=C(C=C5)(N+)(=O)(O)
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1C)C(=O)c1ccc(cc1)(N+)(=O)(O))SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC32H28N2O11S3c1159810181925(31(23)33(21(15)18)26(35)16111317(141216)34(40)41)4622(28(37)435)20(27(36)424)32(19)4723(29(38)446)24(4832)30(39)457h814H17H3
MFCD00689661
STK050458
tetramethyl557trimethyl6((4nitrophenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl557trimethyl6(4nitrobenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl557trimethyl6(4nitrobenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008435013
ZINC08435013
ZINC8435013
Check stock
See real-time availability and sample size for STK050458 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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