Vitas-M small molecule compound
tetramethyl 7'-methoxy-5',5'-dimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK005612
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1OC)C(=O)Cc1ccccc1)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 C33H31NO10S3 MW 697.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO10S3/c1-32(2)27-21(18-14-11-15-19(40-3)23(18)34(32)20(35)16-17-12-9-8-10-13-17)33(22(28(36)41-4)24(45-27)29(37)42-5)46-25(30(38)43-6)26(47-33)31(39)44-7/h8-15H,16H2,1-7H3InChIKey
PNJLPPPRNYDMLA-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)CC4=CC=CC=C4)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(c1c3cccc1OC)C(=O)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H31NO10S3c132(2)2721(1814111519(403)23(18)34(32)20(35)16171298101317)33(22(28(36)414)24(4527)29(37)425)4625(30(38)436)26(4733)31(39)447h815H16H217H3
MFCD01796167
STK005612
tetramethyl7methoxy55dimethyl6(2phenylacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl7methoxy55dimethyl6(phenylacetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150353861
ZINC150353861
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.