Vitas-M small molecule compound

methyl 5-(diethylcarbamoyl)-4-methyl-2-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate

Catalog ID
STK457529
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)N1CCN(CC1)S(=O)(=O)C)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 C18H28N4O5S3 MW 476.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N4O5S3/c1-6-20(7-2)16(23)14-12(3)13(17(24)27-4)15(29-14)19-18(28)21-8-10-22(11-9-21)30(5,25)26/h6-11H2,1-5H3,(H,19,28)
InChIKey
IHRQCKZGLKFXRS-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C)C(=O)OC)C
InChI=1SC18H28N4O5S3c1620(72)16(23)1412(3)13(17(24)274)15(2914)1918(28)2181022(11921)30(525)26h611H215H3(H1928)
methyl5(diethylcarbamoyl)4methyl2(((4(methylsulfonyl)piperazin1yl)carbonothioyl)amino)thiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)4METHYL2(((4(METHYLSULFONYL)PIPERAZIN1YL)CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5(DIETHYLCARBAMOYL)4METHYL2((4METHYLSULFONYLPIPERAZINE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)4METHYL2(((4(METHYLSULFONYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD05135350
ZINC000002858875
ZINC02858875
ZINC2858875

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Available files

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