Vitas-M small molecule compound
tetramethyl 6'-[(4-methoxyphenyl)carbonyl]-5',5'-dimethyl-8'-nitro-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789499
SMILES COc1ccc(cc1)C(=O)N1c2cc(ccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)[N+](=O)[O-]
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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 C32H28N2O12S3 MW 728.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O12S3/c1-31(2)25-20(18-13-10-16(34(40)41)14-19(18)33(31)26(35)15-8-11-17(42-3)12-9-15)32(21(27(36)43-4)22(47-25)28(37)44-5)48-23(29(38)45-6)24(49-32)30(39)46-7/h8-14H,1-7H3InChIKey
FCQRWYQZHCBWPU-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)C4=CC=C(C=C4)OC)C=C(C=C3)(N+)(=O)(O))C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COc1ccc(cc1)C(=O)N1c2cc(ccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)(N+)(=O)(O)
InChI=1SC32H28N2O12S3c131(2)2520(18131016(34(40)41)1419(18)33(31)26(35)1581117(423)12915)32(21(27(36)434)22(4725)28(37)445)4823(29(38)456)24(4932)30(39)467h814H17H3
MFCD01171518
tetramethyl6((4methoxyphenyl)carbonyl)55dimethyl8nitro56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4methoxybenzoyl)55dimethyl8nitro56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4methoxybenzoyl)55dimethyl8nitrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150422318
ZINC150422318
Check stock
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Check stock on Vitas-MAvailable files
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