Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate

Catalog ID
STK473557
SMILES CCOC(=O)c1ccsc1NC(=O)/C(=C/c1ccc(cc1)C(C)(C)C)/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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-5-26-20(25)17-10-11-27-19(17)23-18(24)15(13-22)12-14-6-8-16(9-7-14)21(2,3)4/h6-12H,5H2,1-4H3,(H,23,24)/b15-12+
InChIKey
REFTXGMYCAPNSR-NTCAYCPXSA-N
Synonyms

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC=C(C=C2)C(C)(C)C)C#N
CCOC(=O)c1ccsc1NC(=O)C(=Cc1ccc(cc1)C(C)(C)C)C#N
ethyl2(((2E)3(4tertbutylphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ethyl2(((E)3(4tertbutylphenyl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ETHYL2((2E)3(4(TERTBUTYL)PHENYL)2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H22N2O3Sc152620(25)1710112719(17)2318(24)15(1322)12146816(9714)21(23)4h612H5H214H3(H2324)b1512+
MFCD07093341
ZINC000017078127
ZINC17078127

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Available files

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