Vitas-M small molecule compound
tetramethyl 6'-acetyl-5',5',7',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK055359
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)cc(c2N(C1(C)C)C(=O)C)C)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 C28H29NO9S3 MW 619.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO9S3/c1-12-10-13(2)18-15(11-12)16-22(27(4,5)29(18)14(3)30)39-19(24(32)36-7)17(23(31)35-6)28(16)40-20(25(33)37-8)21(41-28)26(34)38-9/h10-11H,1-9H3InChIKey
UEACFMSHEGKIFB-UHFFFAOYSA-NSynonyms
CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)C)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)cc(c2N(C1(C)C)C(=O)C)C)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC28H29NO9S3c1121013(2)1815(1112)1622(27(45)29(18)14(3)30)3919(24(32)367)17(23(31)356)28(16)4020(25(33)378)21(4128)26(34)389h1011H19H3
MFCD01156184
STK055359
tetramethyl6acetyl5579tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl5579tetramethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl5579tetramethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425733
ZINC08425733
ZINC8425733
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.