Vitas-M small molecule compound

ethyl 2-{[(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enoyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate

Catalog ID
STK867448
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)/C(=C/c1cccs1)/C#N

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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 C22H18N2O4S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S2/c1-3-28-22(26)19-18(14-6-8-16(27-2)9-7-14)13-30-21(19)24-20(25)15(12-23)11-17-5-4-10-29-17/h4-11,13H,3H2,1-2H3,(H,24,25)/b15-11+
InChIKey
XLHJCYCKDINODX-RVDMUPIBSA-N
Synonyms
373610-32-3
(E)ethyl2(2cyano3(thiophen2yl)acrylamido)4(4methoxyphenyl)thiophene3carboxylate
373610323
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C(=CC3=CC=CS3)C#N
CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)C(=Cc1cccs1)C#N
ethyl2(((2E)2cyano3(thiophen2yl)prop2enoyl)amino)4(4methoxyphenyl)thiophene3carboxylate
ETHYL2(((E)2CYANO3THIOPHEN2YLPROP2ENOYL)AMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(2THIENYL)PROP2ENOYLAMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC22H18N2O4S2c132822(26)1918(146816(272)9714)133021(19)2420(25)15(1223)111754102917h41113H3H212H3(H2425)b1511+
MFCD01947628
ZINC000001244538
ZINC01244538
ZINC1244538

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.