Vitas-M small molecule compound

butyl 4-[(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate

Catalog ID
STK553152
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)c1ccc(cc1)OC

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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 C32H29N3O6 MW 551.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O6/c1-3-4-17-41-32(39)20-9-13-22(14-10-20)34-30(37)25-26(31(34)38)28(29(36)19-11-15-23(40-2)16-12-19)35-27(25)24-8-6-5-7-21(24)18-33-35/h5-16,18,25-28H,3-4,17H2,1-2H3/t25-,26+,27?,28-/m1/s1
InChIKey
NOSNBWMYRQUOQU-FVOJZJPKSA-N
Synonyms

butyl4((8R8aS11aR)8((4methoxyphenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)benzoate
butyl4((8R8aS11aR)8(4methoxybenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)OC
CCCCOC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1C2c2ccccc2C=N1)C(=O)c1ccc(cc1)OC
InChI=1SC32H29N3O6c134174132(39)2091322(141020)3430(37)2526(31(34)38)28(29(36)19111523(402)161219)3527(25)24865721(24)183335h516182528H3417H212H3t2526+27?28m1s1
MFCD18242696
ZINC000102464272
ZINC000102464278

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.