Vitas-M small molecule compound
dimethyl 2,2'-(1,3,6,8-tetraoxo-5,10-diphenyloctahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-2,7(1H,5H)-diyl)bis(4,5-dimethylthiophene-3-carboxylate)
Catalog ID
STL019708
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)N1N(C2c2ccccc2)C2C(C1c1ccccc1)C(=O)N(C2=O)c1sc(c(c1C(=O)OC)C)C
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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 C38H34N4O8S2 MW 738.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N4O8S2/c1-17-19(3)51-35(23(17)37(47)49-5)39-31(43)25-27(21-13-9-7-10-14-21)42-30-26(28(22-15-11-8-12-16-22)41(42)29(25)33(39)45)32(44)40(34(30)46)36-24(38(48)50-6)18(2)20(4)52-36/h7-16,25-30H,1-6H3InChIKey
HVIFAIXMKFBDNQ-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(N4C5C(C(N4C3C2=O)C6=CC=CC=C6)C(=O)N(C5=O)C7=C(C(=C(S7)C)C)C(=O)OC)C8=CC=CC=C8)C
dimethyl22(1368tetraoxo510diphenyloctahydropyrrolo(34c)pyrrolo(3445)pyrazolo(12a)pyrazole27(1H5H)diyl)bis(45dimethylthiophene3carboxylate)
InChI=1SC38H34N4O8S2c11719(3)5135(23(17)37(47)495)3931(43)2527(211397101421)423026(28(2215118121622)41(42)29(25)33(39)45)32(44)40(34(30)46)3624(38(48)506)18(2)20(4)5236h7162530H16H3
MFCD04440947
ZINC000170620850
ZINC000238900189
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