Vitas-M small molecule compound
tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-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
STK077429
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)C(N1C(=O)c3c(C1=O)cccc3)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 C36H32N2O12S3 MW 780.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N2O12S3/c1-16(37-29(40)18-11-9-10-12-19(18)30(37)41)28(39)38-21-14-13-17(46-4)15-20(21)22-27(35(38,2)3)51-24(32(43)48-6)23(31(42)47-5)36(22)52-25(33(44)49-7)26(53-36)34(45)50-8/h9-16H,1-8H3InChIKey
FBBKCPRAVIQGGB-UHFFFAOYSA-NSynonyms
CC(C(=O)N1C2=C(C=C(C=C2)OC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)N5C(=O)C6=CC=CC=C6C5=O
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)C(N1C(=O)c3c(C1=O)cccc3)C)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC36H32N2O12S3c116(3729(40)18119101219(18)30(37)41)28(39)3821141317(464)1520(21)2227(35(382)3)5124(32(43)486)23(31(42)475)36(22)5225(33(44)497)26(5336)34(45)508h916H18H3
MFCD01363273
STK077429
tetramethyl6(2(13dioxo13dihydro2Hisoindol2yl)propanoyl)9methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxoisoindol2yl)propanoyl)9methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxoisoindolin2yl)propanoyl)9methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008426441
ZINC000008426443
Check stock
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