Vitas-M small molecule compound

methyl 5-(diethylcarbamoyl)-4-methyl-2-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate

Catalog ID
STK468169
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)/C=C/c1cccs1)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 C19H22N2O4S2 MW 406.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O4S2/c1-5-21(6-2)18(23)16-12(3)15(19(24)25-4)17(27-16)20-14(22)10-9-13-8-7-11-26-13/h7-11H,5-6H2,1-4H3,(H,20,22)/b10-9+
InChIKey
GTBAGUNPUHMKPT-MDZDMXLPSA-N
Synonyms

CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)C=Cc1cccs1)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=CS2)C(=O)OC)C
InChI=1SC19H22N2O4S2c1521(62)18(23)1612(3)15(19(24)254)17(2716)2014(22)1091387112613h711H56H214H3(H2022)b109+
METHYL2((2E)3(2THIENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl5(diethylcarbamoyl)4methyl2(((2E)3(thiophen2yl)prop2enoyl)amino)thiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)4METHYL2(((E)3THIOPHEN2YLPROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03364437
ZINC000006046238
ZINC06046238
ZINC6046238

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Available files

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