Vitas-M small molecule compound
tetramethyl 6'-(2-ethylbutanoyl)-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK047049
SMILES CCC(C(=O)N1c2ccccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)CC
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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 C30H33NO9S3 MW 647.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO9S3/c1-9-15(10-2)24(32)31-17-14-12-11-13-16(17)18-23(29(31,3)4)41-20(26(34)38-6)19(25(33)37-5)30(18)42-21(27(35)39-7)22(43-30)28(36)40-8/h11-15H,9-10H2,1-8H3InChIKey
QCEINFOCKHQJLC-UHFFFAOYSA-NSynonyms
CCC(C(=O)N1c2ccccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)CC
CCC(CC)C(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC30H33NO9S3c1915(102)24(32)31171412111316(17)1823(29(313)4)4120(26(34)386)19(25(33)375)30(18)4221(27(35)397)22(4330)28(36)408h1115H910H218H3
MFCD02127861
STK047049
tetramethyl6(2ethylbutanoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2ethylbutanoyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2ethylbutanoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150449481
ZINC150449481
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.