Vitas-M small molecule compound
tert-butyl (3S)-3-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK577489
SMILES O=C(Nc1ccc2c(c1)OCO2)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(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 C24H27N3O6 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O6/c1-24(2,3)33-23(30)27-13-16-7-5-4-6-15(16)10-18(27)22(29)25-12-21(28)26-17-8-9-19-20(11-17)32-14-31-19/h4-9,11,18H,10,12-14H2,1-3H3,(H,25,29)(H,26,28)/t18-/m0/s1InChIKey
CMGJSKQNMFQPBI-SFHVURJKSA-NSynonyms
1014001-93-4(S)tertbutyl3((2(benzo(d)(13)dioxol5ylamino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
1014001934
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC24H27N3O6c124(23)3323(30)271316754615(16)1018(27)22(29)251221(28)2617891920(1117)32143119h491118H101214H213H3(H2529)(H2628)t18m0s1
MFCD06774596
O=C(Nc1ccc2c(c1)OCO2)CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
tertbutyl(3S)3((2(13benzodioxol5ylamino)2oxoethyl)carbamoyl)34dihydro1Hisoquinoline2carboxylate
tertbutyl(3S)3((2(13benzodioxol5ylamino)2oxoethyl)carbamoyl)34dihydroisoquinoline2(1H)carboxylate
ZINC000009450867
ZINC09450867
ZINC9450867
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