Vitas-M small molecule compound
(8R,8aS,11aR)-N-(4-chlorophenyl)-10-(naphthalen-1-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide
Catalog ID
STK551135
SMILES Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)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 C30H21ClN4O3 MW 520.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21ClN4O3/c31-19-12-14-20(15-13-19)33-28(36)27-25-24(26-22-10-4-2-7-18(22)16-32-35(26)27)29(37)34(30(25)38)23-11-5-8-17-6-1-3-9-21(17)23/h1-16,24-27H,(H,33,36)/t24-,25+,26?,27-/m1/s1InChIKey
XGUMJIGBSNEWKF-RIFKGGETSA-NSynonyms
1214632-41-3(8R8aS11aR)N(4chlorophenyl)10(naphthalen1yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
1214632413
C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=N5)C(=O)NC7=CC=C(C=C7)Cl
Clc1ccc(cc1)NC(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3
InChI=1SC30H21ClN4O3c3119121420(151319)3328(36)272524(26221042718(22)163235(26)27)29(37)34(30(25)38)23115817613921(17)23h1162427H(H3336)t2425+26?27m1s1
MFCD18242567
ZINC000100965646
ZINC000100965650
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