Vitas-M small molecule compound

N~2~-[(1-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-D-asparagine

Catalog ID
STL532274
SMILES NC(=O)C[C@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1

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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 C31H38N4O7 MW 578.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N4O7/c1-30(2,3)42-29(41)35-19-21-10-8-7-9-20(21)17-24(35)26(37)34-15-13-31(14-16-34,22-11-5-4-6-12-22)28(40)33-23(27(38)39)18-25(32)36/h4-12,23-24H,13-19H2,1-3H3,(H2,32,36)(H,33,40)(H,38,39)/t23-,24+/m1/s1
InChIKey
CNTXDOYFHRQVFM-RPWUZVMVSA-N
Synonyms
956158-18-2
(2~(R))4amino2((1((3~(S))2((2methylpropan2yl)oxycarbonyl)34dihydro1~(H)isoquinoline3carbonyl)4phenylpiperidine4carbonyl)amino)4oxobutanoicacid
(R)4amino2(1((S)2(tertbutoxycarbonyl)1234tetrahydroisoquinoline3carbonyl)4phenylpiperidine4carboxamido)4oxobutanoicacid
16405404
956158182
InChI=1SC31H38N4O7c130(23)4229(41)3519211087920(21)1724(35)26(37)34151331(14163422115461222)28(40)3323(27(38)39)1825(32)36h4122324H1319H213H3(H23236)(H3340)(H3839)t2324+m1s1
N~2~((1(((3S)2(tertbutoxycarbonyl)1234tetrahydroisoquinolin3yl)carbonyl)4phenylpiperidin4yl)carbonyl)Dasparagine
NC(=O)C(C@H)(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1
ZINC000070704501
ZINC70704501

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Available files

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