Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-4-methyl-2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK456325
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)N1CCN(CC1)C(=O)C1CCCO1)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 C22H32N4O5S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N4O5S2/c1-5-24(6-2)20(28)17-14(3)16(21(29)30-4)18(33-17)23-22(32)26-11-9-25(10-12-26)19(27)15-8-7-13-31-15/h15H,5-13H2,1-4H3,(H,23,32)InChIKey
DDHCHRXFSADCHW-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C(=O)OC)C
InChI=1SC22H32N4O5S2c1524(62)20(28)1714(3)16(21(29)304)18(3317)2322(32)2611925(101226)19(27)1587133115h15H513H214H3(H2332)
methyl5(diethylcarbamoyl)4methyl2(((4(tetrahydrofuran2ylcarbonyl)piperazin1yl)carbonothioyl)amino)thiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)4METHYL2((4(OXOLANE2CARBONYL)PIPERAZINE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)4METHYL2(((4(OXOLAN2YLCARBONYL)PIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD05138656
ZINC000015919309
ZINC000015919310
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.