Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK458814
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)c1ccc(c(c1)Cl)Cl
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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 C22H26Cl2N4O4S MW 513.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26Cl2N4O4S/c1-12(2)32-22(31)18-13(3)19(20(25)30)33-21(18)26-17(29)11-27-6-8-28(9-7-27)14-4-5-15(23)16(24)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,25,30)(H,26,29)InChIKey
JDJHXOZHBSQBBN-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)N
InChI=1SC22H26Cl2N4O4Sc112(2)3222(31)1813(3)19(20(25)30)3321(18)2617(29)11276828(9727)144515(23)16(24)1014h451012H6911H213H3(H22530)(H2629)
METHYLETHYL2(2(4(34DICHLOROPHENYL)PIPERAZINYL)ACETYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
MFCD05070333
propan2yl5carbamoyl2(((4(34dichlorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((2(4(34dichlorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ZINC000020295009
ZINC20295009
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