Vitas-M small molecule compound
propan-2-yl 4-carbamoyl-3-methyl-5-{[(2E)-3-(4-methylphenyl)prop-2-enoyl]amino}thiophene-2-carboxylate
Catalog ID
STK958753
SMILES CC(OC(=O)c1sc(c(c1C)C(=O)N)NC(=O)/C=C/c1ccc(cc1)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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-11(2)26-20(25)17-13(4)16(18(21)24)19(27-17)22-15(23)10-9-14-7-5-12(3)6-8-14/h5-11H,1-4H3,(H2,21,24)(H,22,23)/b10-9+InChIKey
CDTTYHRVVMNVHY-MDZDMXLPSA-NSynonyms
CC(OC(=O)c1sc(c(c1C)C(=O)N)NC(=O)C=Cc1ccc(cc1)C)C
CC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)N
InChI=1SC20H22N2O4Sc111(2)2620(25)1713(4)16(18(21)24)19(2717)2215(23)109147512(3)6814h511H14H3(H22124)(H2223)b109+
ISOPROPYL4(AMINOCARBONYL)3METHYL5((3(4METHYLPHENYL)ACRYLOYL)AMINO)2THIOPHENECARBOXYLATE
MFCD02371548
propan2yl4carbamoyl3methyl5(((2E)3(4methylphenyl)prop2enoyl)amino)thiophene2carboxylate
PROPAN2YL4CARBAMOYL3METHYL5(((E)3(4METHYLPHENYL)PROP2ENOYL)AMINO)THIOPHENE2CARBOXYLATE
ZINC000000673409
ZINC00673409
ZINC673409
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