Vitas-M small molecule compound
5,5'-carbonylbis[2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione]
Catalog ID
STK002399
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
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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 C41H22N4O9S2 MW 778.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H22N4O9S2/c46-37(23-1-19-33-35(21-23)40(49)42(38(33)47)25-3-11-29(12-4-25)55-31-15-7-27(8-16-31)44(51)52)24-2-20-34-36(22-24)41(50)43(39(34)48)26-5-13-30(14-6-26)56-32-17-9-28(10-18-32)45(53)54/h1-22HInChIKey
RXDDPVCCKBCHIJ-UHFFFAOYSA-NSynonyms
2(4(4NITROPHENYL)SULFANYLPHENYL)5(2(4(4NITROPHENYL)SULFANYLPHENYL)13DIOXOISOINDOLE5CARBONYL)ISOINDOLE13DIONE
55CARBONYLBIS(2(4((4NITROPHENYL)SULFANYL)PHENYL)1HISOINDOLE13(2H)DIONE)
C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)SC7=CC=C(C=C7)(N+)(=O)(O))SC8=CC=C(C=C8)(N+)(=O)(O)
InChI=1SC41H22N4O9S2c4637(231193335(2123)40(49)42(38(33)47)2531129(12425)553115727(81631)44(51)52)242203436(2224)41(50)43(39(34)48)2651330(14626)563217928(101832)45(53)54h122H
MFCD00304526
O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)(N+)(=O)(O))c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)(N+)(=O)(O)
STK002399
ZINC000150415632
ZINC150415632
Check stock
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Check stock on Vitas-MAvailable files
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