Vitas-M small molecule compound
(1S,2R,3aR)-7-chloro-2-(thiophen-3-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK539879
SMILES N#CC1(C#N)[C@H](c2cscc2)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Cl)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C29H26ClN3OS MW 500.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3OS/c30-22-2-3-23-20(10-22)1-4-24-29(15-31,16-32)25(21-5-6-35-14-21)26(33(23)24)27(34)28-11-17-7-18(12-28)9-19(8-17)13-28/h1-6,10,14,17-19,24-26H,7-9,11-13H2/t17?,18?,19?,24-,25-,26+,28?/m1/s1InChIKey
FTHLFQTXYHAVLJ-IFQHBXIOSA-NSynonyms
445462-72-6(1S2R3aR)1((3S5S7S)adamantane1carbonyl)7chloro2(thiophen3yl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3aR)1(adamantane1carbonyl)7chloro2thiophen3yl23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
(1S2R3aR)7chloro2(thiophen3yl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1(1ADAMANTYLCARBONYL)7CHLORO2(3THIENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
445462726
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C6=C(C=C5)C=C(C=C6)Cl)(C#N)C#N)C7=CSC=C7
InChI=1SC29H26ClN3OSc3022232320(1022)142429(15311632)25(2156351421)26(33(23)24)27(34)281117718(1228)919(817)1328h16101417192426H791113H2t17?18?19?242526+28?m1s1
N#CC1(C#N)(C@H)(c2cscc2)(C@H)(N2(C@@H)1C=Cc1c2ccc(c1)Cl)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000008450991
ZINC08450991
ZINC8450991
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