Vitas-M small molecule compound
tetramethyl 5',5',8'-trimethyl-6'-[(2E)-3-phenylprop-2-enoyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK014112
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)/C=C/c1ccccc1)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 C34H31NO9S3 MW 693.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31NO9S3/c1-18-13-15-20-21(17-18)35(22(36)16-14-19-11-9-8-10-12-19)33(2,3)28-23(20)34(24(29(37)41-4)25(45-28)30(38)42-5)46-26(31(39)43-6)27(47-34)32(40)44-7/h8-17H,1-7H3/b16-14+InChIKey
DPKWYUCJLVQOHP-JQIJEIRASA-NSynonyms
CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C=CC4=CC=CC=C4)(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=Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC34H31NO9S3c11813152021(1718)35(22(36)1614191198101219)33(23)2823(20)34(24(29(37)414)25(4528)30(38)425)4626(31(39)436)27(4734)32(40)447h817H17H3b1614+
MFCD01859029
STK014112
tetramethyl558trimethyl6((2E)3phenylprop2enoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl558trimethyl6((E)3phenylprop2enoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6cinnamoyl558trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097957919
ZINC97957919
Check stock
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Check stock on Vitas-MAvailable files
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