Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(3-chlorophenyl)prop-2-enoyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK445342
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)NC(=O)/C=C/c1cccc(c1)Cl)CC
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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 C23H27ClN2O4S MW 463.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN2O4S/c1-6-26(7-2)22(28)20-15(5)19(23(29)30-14(3)4)21(31-20)25-18(27)12-11-16-9-8-10-17(24)13-16/h8-14H,6-7H2,1-5H3,(H,25,27)/b12-11+InChIKey
NKFKAHADUIZGSQ-VAWYXSNFSA-NSynonyms
CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)NC(=O)C=Cc1cccc(c1)Cl)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC(=CC=C2)Cl)C(=O)OC(C)C)C
InChI=1SC23H27ClN2O4Sc1626(72)22(28)2015(5)19(23(29)3014(3)4)21(3120)2518(27)121116981017(24)1316h814H67H215H3(H2527)b1211+
ISOPROPYL2((3(3CHLOROPHENYL)ACRYLOYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
METHYLETHYL2((2E)3(3CHLOROPHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD01348748
propan2yl2(((2E)3(3chlorophenyl)prop2enoyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
PROPAN2YL2(((E)3(3CHLOROPHENYL)PROP2ENOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ZINC000000688853
ZINC00688853
ZINC688853
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.