Vitas-M small molecule compound
methyl 2-[9,11-dioxo-8-(phenylcarbamoyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate
Catalog ID
STL344658
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1N(C2C(=O)Nc2ccccc2)N=Cc2c1cccc2
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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 C28H22N4O5 MW 494.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O5/c1-37-28(36)19-13-7-8-14-20(19)31-26(34)21-22(27(31)35)24(25(33)30-17-10-3-2-4-11-17)32-23(21)18-12-6-5-9-16(18)15-29-32/h2-15,21-24H,1H3,(H,30,33)InChIKey
XJJNJJJWRUFWRO-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)NC6=CC=CC=C6
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)C1N((C@H)2C(=O)Nc2ccccc2)N=Cc2c1cccc2
InChI=1SC28H22N4O5c13728(36)1913781420(19)3126(34)2122(27(31)35)24(25(33)3017103241117)3223(21)181265916(18)152932h2152124H1H3(H3033)
methyl2((8R8aS11aR)911dioxo8(phenylcarbamoyl)8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)benzoate
methyl2(911dioxo8(phenylcarbamoyl)8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)benzoate
MFCD28032156
ZINC000101361396
ZINC000245312811
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