Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK547847
SMILES O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Cl)N1C2c2ccccc2C=N1
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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 C20H14ClN3O3 MW 379.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN3O3/c21-12-7-5-10(6-8-12)18(25)17-15-14(19(26)23-20(15)27)16-13-4-2-1-3-11(13)9-22-24(16)17/h1-9,14-17H,(H,23,26,27)/t14-,15+,16?,17-/m0/s1InChIKey
HDJKGHCTNURTRG-WFVVYAPDSA-NSynonyms
1212453-65-0(8S8aR11aS)8((4chlorophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1212453650
C1=CC=C2C3C4C(C(N3N=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)NC4=O
InChI=1SC20H14ClN3O3c21127510(6812)18(25)171514(19(26)2320(15)27)1613421311(13)92224(16)17h191417H(H232627)t1415+16?17m0s1
MFCD18242375
O=C1NC(=O)(C@H)2(C@@H)1(C@@H)(C(=O)c1ccc(cc1)Cl)N1C2c2ccccc2C=N1
ZINC000004995499
ZINC000016038270
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