Vitas-M small molecule compound

dimethyl 5-({[4-chloro-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]sulfonyl}amino)benzene-1,3-dicarboxylate

Catalog ID
STK675045
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)NS(=O)(=O)c1ccc(c(c1)N1C(=O)C2C(C1=O)C1CC2C=C1)Cl

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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 C25H21ClN2O8S MW 544.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O8S/c1-35-24(31)14-8-15(25(32)36-2)10-16(9-14)27-37(33,34)17-5-6-18(26)19(11-17)28-22(29)20-12-3-4-13(7-12)21(20)23(28)30/h3-6,8-13,20-21,27H,7H2,1-2H3
InChIKey
SZBULODHCSDODM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=O)C4C5CC(C4C3=O)C=C5)C(=O)OC
dimethyl5(((4chloro3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)phenyl)sulfonyl)amino)benzene13dicarboxylate
InChI=1SC25H21ClN2O8Sc13524(31)14815(25(32)362)1016(914)2737(3334)175618(26)19(1117)2822(29)20123413(712)21(20)23(28)30h36813202127H7H212H3
MFCD01572427
ZINC000100074690
ZINC000101161097

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Available files

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