Vitas-M small molecule compound
methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK457992
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C25H32N4O5S2 MW 532.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O5S2/c1-5-28(6-2)23(30)21-16(3)20(24(31)32-4)22(36-21)26-25(35)29-11-9-27(10-12-29)14-17-7-8-18-19(13-17)34-15-33-18/h7-8,13H,5-6,9-12,14-15H2,1-4H3,(H,26,35)InChIKey
DRUBZZNSRIXZTK-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC)C
InChI=1SC25H32N4O5S2c1528(62)23(30)2116(3)20(24(31)324)22(3621)2625(35)2911927(101229)1417781819(1317)34153318h7813H569121415H214H3(H2635)
methyl2(((4(13benzodioxol5ylmethyl)piperazin1yl)carbonothioyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBOTHIOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05989752
ZINC000059603177
ZINC59603177
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