Vitas-M small molecule compound

propan-2-yl 5-carbamoyl-2-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate

Catalog ID
STK459048
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 C21H26N4O6S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O6S/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/h4-5,10,12H,6-9,11H2,1-3H3,(H2,22,27)(H,23,26)
InChIKey
ILXBYEFPFNEDLT-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)N
InChI=1SC21H26N4O6Sc112(2)3121(29)1613(3)17(18(22)27)3219(16)2315(26)11246825(9724)20(28)1454103014h451012H6911H213H3(H22227)(H2326)
METHYLETHYL5CARBAMOYL2(2(4(2FURYLCARBONYL)PIPERAZINYL)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05123477
propan2yl5carbamoyl2(((4(furan2ylcarbonyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((2(4(furan2carbonyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ZINC000020294931
ZINC20294931

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Available files

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