Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-4-methyl-2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK458798
SMILES CC(OC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)C2CCCO2)sc(c1C)C(=O)N)C
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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 C21H30N4O6S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O6S/c1-12(2)31-21(29)16-13(3)17(18(22)27)32-19(16)23-15(26)11-24-6-8-25(9-7-24)20(28)14-5-4-10-30-14/h12,14H,4-11H2,1-3H3,(H2,22,27)(H,23,26)InChIKey
LLXYXUGIMWSHFL-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C(=O)C3CCCO3)C(=O)N
InChI=1SC21H30N4O6Sc112(2)3121(29)1613(3)17(18(22)27)3219(16)2315(26)11246825(9724)20(28)1454103014h1214H411H213H3(H22227)(H2326)
METHYLETHYL5CARBAMOYL4METHYL2(2(4(OXOLAN2YLCARBONYL)PIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD06056626
propan2yl5carbamoyl4methyl2(((4(tetrahydrofuran2ylcarbonyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
propan2yl5carbamoyl4methyl2((2(4(oxolane2carbonyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
ZINC000020294923
ZINC000020294927
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