Vitas-M small molecule compound

methyl 5-[(1E)-1-cyanoprop-1-en-2-yl]-2-({[2-(4-fluorophenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate

Catalog ID
STK912984
SMILES N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)F)\C

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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 C27H20FN3O3S MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O3S/c1-15(12-13-29)24-16(2)23(27(33)34-3)26(35-24)31-25(32)20-14-22(17-8-10-18(28)11-9-17)30-21-7-5-4-6-19(20)21/h4-12,14H,1-3H3,(H,31,32)/b15-12+
InChIKey
ZBNLVVLCGQUPQF-NTCAYCPXSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)C(=CC#N)C
InChI=1SC27H20FN3O3Sc115(121329)2416(2)23(27(33)343)26(3524)3125(32)201422(1781018(28)11917)3021754619(20)21h41214H13H3(H3132)b1512+
methyl5((1E)1cyanoprop1en2yl)2(((2(4fluorophenyl)quinolin4yl)carbonyl)amino)4methylthiophene3carboxylate
methyl5((E)1cyanoprop1en2yl)2((2(4fluorophenyl)quinoline4carbonyl)amino)4methylthiophene3carboxylate
MFCD07427940
N#CC=C(c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)F)C
ZINC000008917429
ZINC08917429
ZINC8917429

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Available files

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