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Vitas-M small molecule compound

tetramethyl 6'-[(4-ethylphenoxy)acetyl]-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
STK106109
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)COc1ccc(cc1)CC)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 C35H35NO11S3 MW 741.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35NO11S3/c1-9-18-10-12-19(13-11-18)47-17-23(37)36-22-15-14-20(42-4)16-21(22)24-29(34(36,2)3)48-26(31(39)44-6)25(30(38)43-5)35(24)49-27(32(40)45-7)28(50-35)33(41)46-8/h10-16H,9,17H2,1-8H3
InChIKey
HBQTULQLRDEKKK-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)OCC(=O)N2C3=C(C=C(C=C3)OC)C4=C(C2(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC35H35NO11S3c1918101219(131118)471723(37)3622151420(424)1621(22)2429(34(362)3)4826(31(39)446)25(30(38)435)35(24)4927(32(40)457)28(5035)33(41)468h1016H917H218H3
MFCD03295170
tetramethyl6((4ethylphenoxy)acetyl)9methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(4ethylphenoxy)acetyl)9methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(4ethylphenoxy)acetyl)9methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150442449
ZINC150442449

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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