Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-4-methyl-2-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK457632
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)N1CCN(CC1)c1ncccn1)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 C21H28N6O3S2 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O3S2/c1-5-25(6-2)18(28)16-14(3)15(19(29)30-4)17(32-16)24-21(31)27-12-10-26(11-13-27)20-22-8-7-9-23-20/h7-9H,5-6,10-13H2,1-4H3,(H,24,31)InChIKey
IYINVPYASAZEMF-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C(=O)OC)C
InChI=1SC21H28N6O3S2c1525(62)18(28)1614(3)15(19(29)304)17(3216)2421(31)27121026(111327)20228792320h79H561013H214H3(H2431)
methyl5(diethylcarbamoyl)4methyl2(((4(pyrimidin2yl)piperazin1yl)carbonothioyl)amino)thiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)4METHYL2((4PYRIMIDIN2YLPIPERAZINE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)4METHYL2(((4PYRIMIDIN2YLPIPERAZINYL)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD04137526
ZINC000016347185
ZINC16347185
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