Vitas-M small molecule compound
(2E)-2-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-(2-fluorophenyl)-3-hydroxy-3-(thioformylamino)prop-2-enamide
Catalog ID
STK555691
SMILES S=CN/C(=C(/C1N(CCc2c1cccc2)C(=O)C)\C(=O)Nc1ccccc1F)/O
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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 C21H20FN3O3S MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O3S/c1-13(26)25-11-10-14-6-2-3-7-15(14)19(25)18(20(27)23-12-29)21(28)24-17-9-5-4-8-16(17)22/h2-9,12,19,27H,10-11H2,1H3,(H,23,29)(H,24,28)/b20-18+InChIKey
CCEFDIJUYHMVKR-CZIZESTLSA-NSynonyms
842974-45-2(2E)2(2acetyl1234tetrahydroisoquinolin1yl)N(2fluorophenyl)3hydroxy3(thioformylamino)prop2enamide
(E)2(2acetyl1234tetrahydroisoquinolin1yl)N(2fluorophenyl)3hydroxy3methanethioamidoacrylamide
(E)2(2ACETYL34DIHYDRO1HISOQUINOLIN1YL)N(2FLUOROPHENYL)3HYDROXY3(METHANETHIOYLAMINO)PROP2ENAMIDE
842974452
CC(=O)N1CCC2=CC=CC=C2C1C(=C(NC=S)O)C(=O)NC3=CC=CC=C3F
InChI=1SC21H20FN3O3Sc113(26)25111014623715(14)19(25)18(20(27)231229)21(28)2417954816(17)22h29121927H1011H21H3(H2329)(H2428)b2018+
MFCD04012920
S=CNC(=C(C1N(CCc2c1cccc2)C(=O)C)C(=O)Nc1ccccc1F)O
ZINC000101039859
ZINC000101039861
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