Vitas-M small molecule compound
tert-butyl (3S)-3-({4-[(3,5-dimethylphenyl)carbamoyl]piperidin-1-yl}carbonyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK609429
SMILES O=C(C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1cc(C)cc(c1)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 C29H37N3O4 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O4/c1-19-14-20(2)16-24(15-19)30-26(33)21-10-12-31(13-11-21)27(34)25-17-22-8-6-7-9-23(22)18-32(25)28(35)36-29(3,4)5/h6-9,14-16,21,25H,10-13,17-18H2,1-5H3,(H,30,33)/t25-/m0/s1InChIKey
FGZNCSQAWZEIAL-VWLOTQADSA-NSynonyms
1013983-20-4(S)tertbutyl3(4((35dimethylphenyl)carbamoyl)piperidine1carbonyl)34dihydroisoquinoline2(1H)carboxylate
1013983204
CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C)C
InChI=1SC29H37N3O4c1191420(2)1624(1519)3026(33)21101231(131121)27(34)251722867923(22)1832(25)28(35)3629(34)5h6914162125H10131718H215H3(H3033)t25m0s1
MFCD06771178
O=C(C1CCN(CC1)C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1cc(C)cc(c1)C
tertbutyl(3S)3((4((35dimethylphenyl)carbamoyl)piperidin1yl)carbonyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(4((35dimethylphenyl)carbamoyl)piperidine1carbonyl)34dihydro1Hisoquinoline2carboxylate
ZINC000009059128
ZINC09059128
ZINC9059128
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.