Vitas-M small molecule compound
tert-butyl (3S)-3-({(2R)-1-[(3-methoxyphenyl)amino]-1-oxopropan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK602362
SMILES COc1cccc(c1)NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-16(22(29)27-19-11-8-12-20(14-19)32-5)26-23(30)21-13-17-9-6-7-10-18(17)15-28(21)24(31)33-25(2,3)4/h6-12,14,16,21H,13,15H2,1-5H3,(H,26,30)(H,27,29)/t16-,21+/m1/s1InChIKey
YHIUSMWCMDMLDA-IERDGZPVSA-NSynonyms
1014020-87-1(S)tertbutyl3(((R)1((3methoxyphenyl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014020871
CC(C(=O)NC1=CC(=CC=C1)OC)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C
COc1cccc(c1)NC(=O)(C@H)(NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
InChI=1SC25H31N3O5c116(22(29)27191181220(1419)325)2623(30)2113179671018(17)1528(21)24(31)3325(23)4h612141621H1315H215H3(H2630)(H2729)t1621+m1s1
MFCD06775062
tertbutyl(3S)3(((2R)1((3methoxyphenyl)amino)1oxopropan2yl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
tertbutyl(3S)3(((2R)1(3methoxyanilino)1oxopropan2yl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
ZINC000008994614
ZINC08994614
ZINC8994614
Check stock
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