Vitas-M small molecule compound
(2S,3S,12aR)-2-(3-iodophenyl)-3-(phenylcarbonyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Catalog ID
STK667987
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1cccc(c1)I)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/c32-23-11-6-10-22(17-23)28-29(30(36)21-8-2-1-3-9-21)35-26-15-13-20-7-4-5-12-24(20)25(26)14-16-27(35)31(28,18-33)19-34/h1-17,27-29H/t27-,28-,29+/m1/s1InChIKey
IVVPMTNVVFKDNJ-NLDZOOGBSA-NSynonyms
(2S3S12AR)2(3IODOPHENYL)3(PHENYLCARBONYL)23DIHYDROBENZO(F)PYRROLO(12A)QUINOLINE11(12AH)DICARBONITRILE
(2S3S12AR)3BENZOYL2(3IODOPHENYL)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=C6)I
InChI=1SC31H20IN3Oc32231161022(1723)2829(30(36)218213921)35261513207451224(20)25(26)141627(35)31(281833)1934h1172729Ht272829+m1s1
MFCD18246815
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1cccc(c1)I)C(=O)c1ccccc1)ccc1c3cccc1
ZINC000098001151
ZINC98001151
Check stock
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