Vitas-M small molecule compound
methyl 5-carbamoyl-2-({[4-(3-fluorobenzyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK458911
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)Cc2cccc(c2)F)sc(c1C)C(=O)N
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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 C21H25FN4O4S MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4O4S/c1-13-17(21(29)30-2)20(31-18(13)19(23)28)24-16(27)12-26-8-6-25(7-9-26)11-14-4-3-5-15(22)10-14/h3-5,10H,6-9,11-12H2,1-2H3,(H2,23,28)(H,24,27)InChIKey
ZBACWXNKIJXXFO-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)N
InChI=1SC21H25FN4O4Sc11317(21(29)302)20(3118(13)19(23)28)2416(27)12268625(7926)111443515(22)1014h3510H691112H212H3(H22328)(H2427)
methyl5carbamoyl2(((4(3fluorobenzyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
methyl5carbamoyl2((2(4((3fluorophenyl)methyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
METHYL5CARBAMOYL2(2(4((3FLUOROPHENYL)METHYL)PIPERAZINYL)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD06054584
ZINC000019647267
ZINC19647267
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