Vitas-M small molecule compound
tetramethyl 6'-butanoyl-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK325136
SMILES CCCC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)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 C29H31NO10S3 MW 649.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO10S3/c1-9-10-17(31)30-16-12-11-14(36-4)13-15(16)18-23(28(30,2)3)41-20(25(33)38-6)19(24(32)37-5)29(18)42-21(26(34)39-7)22(43-29)27(35)40-8/h11-13H,9-10H2,1-8H3InChIKey
XJCSAWFWMIWMLG-UHFFFAOYSA-NSynonyms
CCCC(=O)N1C2=C(C=C(C=C2)OC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
CCCC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C((C@@)12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)OC
InChI=1SC29H31NO10S3c191017(31)3016121114(364)1315(16)1823(28(302)3)4120(25(33)386)19(24(32)375)29(18)4221(26(34)397)22(4329)27(35)408h1113H910H218H3
MFCD00486103
tetramethyl6butanoyl9methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butanoyl9methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butyryl9methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008435536
ZINC08435536
ZINC8435536
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.