Vitas-M small molecule compound

ethyl 2-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK898901
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)F)/C#N)sc2c1CCCC2

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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 C23H20FN3O2S2 MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O2S2/c1-2-29-23(28)20-17-5-3-4-6-19(17)31-22(20)26-12-15(11-25)21-27-18(13-30-21)14-7-9-16(24)10-8-14/h7-10,12-13,26H,2-6H2,1H3/b15-12-
InChIKey
WXTPAUUPCVKCEB-QINSGFPZSA-N
Synonyms
796877-12-8
(Z)ethyl2((2cyano2(4(4fluorophenyl)thiazol2yl)vinyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
796877128
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)F
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)F)C#N)sc2c1CCCC2
ethyl2(((Z)2cyano2(4(4fluorophenyl)13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H20FN3O2S2c122923(28)2017534619(17)3122(20)261215(1125)212718(133021)147916(24)10814h710121326H26H21H3b1512
MFCD03669088
ZINC000002199650
ZINC02199650
ZINC2199650

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Available files

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