Vitas-M small molecule compound
methyl 5-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STK444892
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)/C=C/c1ccc(cc1)C(C)(C)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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-13-16(12-22)19(27-18(13)20(25)26-5)23-17(24)11-8-14-6-9-15(10-7-14)21(2,3)4/h6-11H,1-5H3,(H,23,24)/b11-8+InChIKey
DSBZFQWJWBKSCM-DHZHZOJOSA-NSynonyms
CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC=C(C=C2)C(C)(C)C)C(=O)OC
COC(=O)c1sc(c(c1C)C#N)NC(=O)C=Cc1ccc(cc1)C(C)(C)C
InChI=1SC21H22N2O3Sc11316(1222)19(2718(13)20(25)265)2317(24)118146915(10714)21(23)4h611H15H3(H2324)b118+
methyl5(((2E)3(4tertbutylphenyl)prop2enoyl)amino)4cyano3methylthiophene2carboxylate
METHYL5(((E)3(4TERTBUTYLPHENYL)PROP2ENOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5((2E)3(4(TERTBUTYL)PHENYL)PROP2ENOYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5((3(4TERTBUTYLPHENYL)ACRYLOYL)AMINO)4CYANO3METHYL2THIOPHENECARBOXYLATE
MFCD01350213
ZINC000000688826
ZINC00688826
ZINC688826
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