Vitas-M small molecule compound

methyl 5-(diethylcarbamoyl)-2-({[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-4-methylthiophene-3-carboxylate

Catalog ID
STK458391
SMILES CCn1cc(c(n1)C)CN(C(=S)Nc1sc(c(c1C(=O)OC)C)C(=O)N(CC)CC)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 C21H31N5O3S2 MW 465.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O3S2/c1-8-25(9-2)19(27)17-13(4)16(20(28)29-7)18(31-17)22-21(30)24(6)11-15-12-26(10-3)23-14(15)5/h12H,8-11H2,1-7H3,(H,22,30)
InChIKey
SXUGWJJKYHYMQK-UHFFFAOYSA-N
Synonyms

CCN1C=C(C(=N1)C)CN(C)C(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC
InChI=1SC21H31N5O3S2c1825(92)19(27)1713(4)16(20(28)297)18(3117)2221(30)24(6)11151226(103)2314(15)5h12H811H217H3(H2230)
methyl5(diethylcarbamoyl)2((((1ethyl3methyl1Hpyrazol4yl)methyl)(methyl)carbamothioyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2(((1ETHYL3METHYLPYRAZOL4YL)METHYLMETHYLCARBAMOTHIOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2(((((1ETHYL3METHYLPYRAZOL4YL)METHYL)METHYLAMINO)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05118339
ZINC000002852440
ZINC02852440
ZINC2852440

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Available files

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