Vitas-M small molecule compound

(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(2-methyl-4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione

Catalog ID
STK547114
SMILES Clc1ccc(cc1)C(=O)[C@@H]1[C@H]2[C@@H](C3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1ccc(cc1C)[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 C27H19ClN4O5 MW 514.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN4O5/c1-14-12-18(32(36)37)10-11-20(14)30-26(34)21-22(27(30)35)24(25(33)15-6-8-17(28)9-7-15)31-23(21)19-5-3-2-4-16(19)13-29-31/h2-13,21-24H,1H3/t21-,22+,23?,24-/m0/s1
InChIKey
SYGWZMRGVYPKEI-UZLDWMDBSA-N
Synonyms
1014101-14-4
(8S8aR11aS)8((4chlorophenyl)carbonyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014101144
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C(=O)(C@@H)1(C@H)2(C@@H)(C3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC27H19ClN4O5c1141218(32(36)37)101120(14)3026(34)2122(27(30)35)24(25(33)156817(28)9715)3123(21)19532416(19)132931h2132124H1H3t2122+23?24m0s1
MFCD18242331
ZINC000009374775
ZINC000018100074

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Available files

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