Vitas-M small molecule compound
tetramethyl 6'-[(4-tert-butylphenyl)carbonyl]-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
STK096409
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)c1ccc(cc1)C(C)(C)C)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 C36H37NO10S3 MW 739.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37NO10S3/c1-34(2,3)19-13-11-18(12-14-19)29(38)37-22-16-15-20(43-6)17-21(22)23-28(35(37,4)5)48-25(31(40)45-8)24(30(39)44-7)36(23)49-26(32(41)46-9)27(50-36)33(42)47-10/h11-17H,1-10H3InChIKey
QWNZDBMOLHNDGR-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)C4=CC=C(C=C4)C(C)(C)C)C=CC(=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)c1ccc(cc1)C(C)(C)C)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC36H37NO10S3c134(23)19131118(121419)29(38)3722161520(436)1721(22)2328(35(374)5)4825(31(40)458)24(30(39)447)36(23)4926(32(41)469)27(5036)33(42)4710h1117H110H3
MFCD00997508
STK096409
tetramethyl6((4tertbutylphenyl)carbonyl)9methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4(tertbutyl)benzoyl)9methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4tertbutylbenzoyl)9methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999556
ZINC97999556
Check stock
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Check stock on Vitas-MAvailable files
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