Vitas-M small molecule compound
methyl 2-{[(6-tert-butyl-2-{[(4-methylpiperidin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK385213
SMILES COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CN2CCC(CC2)C)sc2c1CCC(C2)C(C)(C)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 C29H39N3O4S MW 525.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O4S/c1-18-12-14-32(15-13-18)17-24(33)31-27-25(21-11-10-19(29(2,3)4)16-23(21)37-27)26(34)30-22-9-7-6-8-20(22)28(35)36-5/h6-9,18-19H,10-17H2,1-5H3,(H,30,34)(H,31,33)InChIKey
HCYBNROQZMJTAY-UHFFFAOYSA-NSynonyms
CC1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC29H39N3O4Sc118121432(151318)1724(33)312725(21111019(29(23)4)1623(21)3727)26(34)3022976820(22)28(35)365h691819H1017H215H3(H3034)(H3133)
methyl2(((6tertbutyl2(((4methylpiperidin1yl)acetyl)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl2((6tertbutyl2((2(4methylpiperidin1yl)acetyl)amino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD03103543
ZINC000015946042
ZINC000015946044
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