Vitas-M small molecule compound
tert-butyl 3-({[4-(cyclohexylcarbamoyl)cyclohexyl]methyl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL058090
SMILES O=C(C1CCC(CC1)CNC(=O)C1Cc2ccccc2CN1C(=O)OC(C)(C)C)NC1CCCCC1
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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 C29H43N3O4 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43N3O4/c1-29(2,3)36-28(35)32-19-23-10-8-7-9-22(23)17-25(32)27(34)30-18-20-13-15-21(16-14-20)26(33)31-24-11-5-4-6-12-24/h7-10,20-21,24-25H,4-6,11-19H2,1-3H3,(H,30,34)(H,31,33)InChIKey
OMXHPWPKAQWWJZ-UHFFFAOYSA-NSynonyms
(S)tertbutyl3((((1r4S)4(cyclohexylcarbamoyl)cyclohexyl)methyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCC(CC3)C(=O)NC4CCCCC4
InChI=1SC29H43N3O4c129(23)3628(35)3219231087922(23)1725(32)27(34)301820131521(161420)26(33)3124115461224h71020212425H461119H213H3(H3034)(H3133)
MFCD18192906
O=C((C@@H)1CCC(CC1)CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)NC1CCCCC1
tertbutyl3(((4(cyclohexylcarbamoyl)cyclohexyl)methyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
TERTBUTYL3((4(CYCLOHEXYLCARBAMOYL)CYCLOHEXYL)METHYLCARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
ZINC000009510416
ZINC000016034050
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