Vitas-M small molecule compound

(8S,8aR,11aS)-10-(4-butoxyphenyl)-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
STK547716
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=N1)C(=O)c1ccc(cc1)Cl

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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 C30H26ClN3O4 MW 528.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O4/c1-2-3-16-38-22-14-12-21(13-15-22)33-29(36)24-25(30(33)37)27(28(35)18-8-10-20(31)11-9-18)34-26(24)23-7-5-4-6-19(23)17-32-34/h4-15,17,24-27H,2-3,16H2,1H3/t24-,25+,26?,27-/m0/s1
InChIKey
JOWIVFQSGMDUKC-UEEAVMEZSA-N
Synonyms
1014101-43-9
(8S8aR11aS)10(4butoxyphenyl)8((4chlorophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)10(4butoxyphenyl)8(4chlorobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014101439
CCCCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)Cl
CCCCOc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=N1)C(=O)c1ccc(cc1)Cl
InChI=1SC30H26ClN3O4c123163822141221(131522)3329(36)2425(30(33)37)27(28(35)1881020(31)11918)3426(24)23754619(23)173234h415172427H2316H21H3t2425+26?27m0s1
MFCD18242364
ZINC000100917785
ZINC000100917787

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Available files

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