Vitas-M small molecule compound
tetramethyl 6'-[(3-fluorophenyl)carbonyl]-5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK788995
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1C)C(=O)c1cccc(c1)F)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 C32H28FNO9S3 MW 685.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28FNO9S3/c1-15-10-8-13-18-19-25(31(2,3)34(21(15)18)26(35)16-11-9-12-17(33)14-16)44-22(28(37)41-5)20(27(36)40-4)32(19)45-23(29(38)42-6)24(46-32)30(39)43-7/h8-14H,1-7H3InChIKey
HNSPLJCFNAGXMC-UHFFFAOYSA-NSynonyms
CC1=CC=CC2=C1N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)C5=CC(=CC=C5)F
InChI=1SC32H28FNO9S3c11510813181925(31(23)34(21(15)18)26(35)161191217(33)1416)4422(28(37)415)20(27(36)404)32(19)4523(29(38)426)24(4632)30(39)437h814H17H3
MFCD00643366
tetramethyl6((3fluorophenyl)carbonyl)557trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3fluorobenzoyl)557trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3fluorobenzoyl)557trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008398998
ZINC08398998
ZINC8398998
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