Vitas-M small molecule compound
tetramethyl 5',5',8'-trimethyl-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
STK044135
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)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 C34H30N2O11S3 MW 738.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O11S3/c1-17-8-14-20-21(16-17)35(22(37)15-11-18-9-12-19(13-10-18)36(42)43)33(2,3)28-23(20)34(24(29(38)44-4)25(48-28)30(39)45-5)49-26(31(40)46-6)27(50-34)32(41)47-7/h8-16H,1-7H3/b15-11+InChIKey
XUOCACSLMVYWIM-RVDMUPIBSA-NSynonyms
(E)tetramethyl558trimethyl6(3(4nitrophenyl)acryloyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O))(C)C)SC(=C(C35SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)C=Cc1ccc(cc1)(N+)(=O)(O))SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC34H30N2O11S3c1178142021(1617)35(22(37)15111891219(131018)36(42)43)33(23)2823(20)34(24(29(38)444)25(4828)30(39)455)4926(31(40)466)27(5034)32(41)477h816H17H3b1511+
MFCD01562336
STK044135
tetramethyl558trimethyl6((2E)3(4nitrophenyl)prop2enoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl558trimethyl6((E)3(4nitrophenyl)prop2enoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150391386
ZINC150391386
Check stock
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