Vitas-M small molecule compound

tert-butyl 3-[({4-[(furan-2-ylmethyl)carbamoyl]cyclohexyl}methyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

Catalog ID
STL043034
SMILES O=C(C1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCC(CC1)C(=O)NCc1ccco1

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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 C28H37N3O5 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O5/c1-28(2,3)36-27(34)31-18-22-8-5-4-7-21(22)15-24(31)26(33)29-16-19-10-12-20(13-11-19)25(32)30-17-23-9-6-14-35-23/h4-9,14,19-20,24H,10-13,15-18H2,1-3H3,(H,29,33)(H,30,32)
InChIKey
QMPNFDQMWJQUQE-UHFFFAOYSA-N
Synonyms

(S)tertbutyl3((((1r4S)4((furan2ylmethyl)carbamoyl)cyclohexyl)methyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCC(CC3)C(=O)NCC4=CC=CO4
InChI=1SC28H37N3O5c128(23)3627(34)311822854721(22)1524(31)26(33)291619101220(131119)25(32)30172396143523h4914192024H10131518H213H3(H2933)(H3032)
MFCD18192519
O=C((C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CC(C@H)(CC1)C(=O)NCc1ccco1
tertbutyl3(((4((furan2ylmethyl)carbamoyl)cyclohexyl)methyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
TERTBUTYL3((4(FURAN2YLMETHYLCARBAMOYL)CYCLOHEXYL)METHYLCARBAMOYL)34DIHYDRO1HISOQUINOLINE2CARBOXYLATE
ZINC000009044125
ZINC000016020563

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Available files

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