Vitas-M small molecule compound
tetramethyl 9'-methoxy-5',5'-dimethyl-6'-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK052348
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)/C=C/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 C34H30N2O12S3 MW 754.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O12S3/c1-33(2)28-23(20-16-19(44-3)13-14-21(20)35(33)22(37)15-10-17-8-11-18(12-9-17)36(42)43)34(24(29(38)45-4)25(49-28)30(39)46-5)50-26(31(40)47-6)27(51-34)32(41)48-7/h8-16H,1-7H3/b15-10+InChIKey
NCNGRUQEPSFVCX-XNTDXEJSSA-NSynonyms
(E)tetramethyl9methoxy55dimethyl6(3(4nitrophenyl)acryloyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
CC1(C2=C(C3=C(N1C(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O))C=CC(=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)C=Cc1ccc(cc1)(N+)(=O)(O))SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC34H30N2O12S3c133(2)2823(201619(443)131421(20)35(33)22(37)15101781118(12917)36(42)43)34(24(29(38)454)25(4928)30(39)465)5026(31(40)476)27(5134)32(41)487h816H17H3b1510+
MFCD01156256
STK052348
tetramethyl9methoxy55dimethyl6((2E)3(4nitrophenyl)prop2enoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6((E)3(4nitrophenyl)prop2enoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150393223
ZINC150393223
Check stock
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Check stock on Vitas-MAvailable files
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