Vitas-M small molecule compound
(2R,3S,12aR)-2-(2-iodophenyl)-3-(phenylcarbonyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Catalog ID
STK667994
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1I)C(=O)c1ccccc1)ccc1c3cccc1
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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 C31H20IN3O MW 577.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20IN3O/c32-25-13-7-6-12-24(25)28-29(30(36)21-9-2-1-3-10-21)35-26-16-14-20-8-4-5-11-22(20)23(26)15-17-27(35)31(28,18-33)19-34/h1-17,27-29H/t27-,28-,29+/m1/s1InChIKey
KZKKXYXZEFTVLX-NLDZOOGBSA-NSynonyms
(2R3S12aR)2(2iodophenyl)3(phenylcarbonyl)23dihydrobenzo(f)pyrrolo(12a)quinoline11(12aH)dicarbonitrile
(2R3S12AR)3BENZOYL2(2IODOPHENYL)312ADIHYDRO2HNAPHTHO(21E)INDOLIZINE11DICARBONITRILE
C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C5=CC=CC=C5C=C4)(C#N)C#N)C6=CC=CC=C6I
InChI=1SC31H20IN3Oc322513761224(25)2829(30(36)2192131021)35261614208451122(20)23(26)151727(35)31(281833)1934h1172729Ht272829+m1s1
MFCD18246818
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1I)C(=O)c1ccccc1)ccc1c3cccc1
ZINC000098001153
ZINC98001153
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