Vitas-M small molecule compound
8-[(3,4-dimethoxyphenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STL236103
SMILES COc1ccc(cc1OC)C(=O)C1N2N=Cc3c(C2C2C1C(=O)N(C2=O)c1ccccc1)cccc3
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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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c1-35-20-13-12-16(14-21(20)36-2)26(32)25-23-22(24-19-11-7-6-8-17(19)15-29-31(24)25)27(33)30(28(23)34)18-9-4-3-5-10-18/h3-15,22-25H,1-2H3InChIKey
XXBLDHCAMPZZEJ-UHFFFAOYSA-NSynonyms
(8R8aS11aR)8(34dimethoxybenzoyl)10phenyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
8((34dimethoxyphenyl)carbonyl)10phenyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC=C6)OC
COc1ccc(cc1OC)C(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccccc1)cccc3
InChI=1SC28H23N3O5c13520131216(1421(20)362)26(32)252322(24191176817(19)152931(24)25)27(33)30(28(23)34)1894351018h3152225H12H3
MFCD24858601
ZINC000101343258
ZINC000247943465
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