Vitas-M small molecule compound
tetramethyl 6'-[(2E)-but-2-enoyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK087454
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)/C=C/C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)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 C30H31NO10S3 MW 661.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO10S3/c1-9-11-18(32)31-17-13-12-15(41-10-2)14-16(17)19-24(29(31,3)4)42-21(26(34)38-6)20(25(33)37-5)30(19)43-22(27(35)39-7)23(44-30)28(36)40-8/h9,11-14H,10H2,1-8H3/b11-9+InChIKey
ILUDOQMQMLIBPN-PKNBQFBNSA-NSynonyms
(E)tetramethyl6(but2enoyl)9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
CCOC1=CC2=C(C=C1)N(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)C=CC
CCOc1ccc2c(c1)C1=C(C(N2C(=O)C=CC)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC30H31NO10S3c191118(32)3117131215(41102)1416(17)1924(29(313)4)4221(26(34)386)20(25(33)375)30(19)4322(27(35)397)23(4430)28(36)408h91114H10H218H3b119+
MFCD01796165
STK087454
tetramethyl6((2E)but2enoyl)9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6((E)but2enoyl)9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097965336
ZINC97965336
Check stock
See real-time availability and sample size for STK087454 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.