Vitas-M small molecule compound
tert-butyl 3-({[4-(cyclopentylcarbamoyl)cyclohexyl]methyl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL058253
SMILES O=C(C1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCC(CC1)C(=O)NC1CCCC1
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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 C28H41N3O4 MW 483.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41N3O4/c1-28(2,3)35-27(34)31-18-22-9-5-4-8-21(22)16-24(31)26(33)29-17-19-12-14-20(15-13-19)25(32)30-23-10-6-7-11-23/h4-5,8-9,19-20,23-24H,6-7,10-18H2,1-3H3,(H,29,33)(H,30,32)InChIKey
NNNOZWZNEBEZDY-UHFFFAOYSA-NSynonyms
(S)tertbutyl3((((1r4S)4(cyclopentylcarbamoyl)cyclohexyl)methyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCC(CC3)C(=O)NC4CCCC4
InChI=1SC28H41N3O4c128(23)3527(34)311822954821(22)1624(31)26(33)291719121420(151319)25(32)302310671123h458919202324H671018H213H3(H2933)(H3032)
MFCD18192943
O=C((C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CC(C@H)(CC1)C(=O)NC1CCCC1
tertbutyl3(((4(cyclopentylcarbamoyl)cyclohexyl)methyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
TERTBUTYL3((4(CYCLOPENTYLCARBAMOYL)CYCLOHEXYL)METHYLCARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
ZINC000009487974
ZINC000016021163
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