Vitas-M small molecule compound
tetraethyl 9'-methoxy-5',5'-dimethyl-6'-(phenoxyacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK032737
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)COc1ccccc1)SC(=C(S2)C(=O)OCC)C(=O)OCC
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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 C37H39NO11S3 MW 769.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39NO11S3/c1-8-45-32(40)27-28(33(41)46-9-2)50-31-26(37(27)51-29(34(42)47-10-3)30(52-37)35(43)48-11-4)23-19-22(44-7)17-18-24(23)38(36(31,5)6)25(39)20-49-21-15-13-12-14-16-21/h12-19H,8-11,20H2,1-7H3InChIKey
XMIGNGFFTIIIOJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)COc1ccccc1)SC(=C(S2)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)OC)N(C2(C)C)C(=O)COC5=CC=CC=C5)C(=O)OCC
InChI=1SC37H39NO11S3c184532(40)2728(33(41)4692)503126(37(27)5129(34(42)47103)30(5237)35(43)48114)231922(447)171824(23)38(36(315)6)25(39)204921151312141621h1219H81120H217H3
MFCD01896545
STK032737
tetraethyl9methoxy55dimethyl6(2phenoxyacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl9methoxy55dimethyl6(phenoxyacetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150358482
ZINC150358482
Check stock
See real-time availability and sample size for STK032737 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.