Vitas-M small molecule compound

N-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Catalog ID
STK633198
SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)C1COc2c(O1)cccc2

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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 C24H28ClN3O4 MW 457.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClN3O4/c1-16(2)22(26-23(29)21-15-31-19-8-3-4-9-20(19)32-21)24(30)28-12-10-27(11-13-28)18-7-5-6-17(25)14-18/h3-9,14,16,21-22H,10-13,15H2,1-2H3,(H,26,29)/t21?,22-/m0/s1
InChIKey
XUDCICFUMMMBSN-KEKNWZKVSA-N
Synonyms
1212445-78-7
1212445787
CC(C)C(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)NC(=O)C3COC4=CC=CC=C4O3
Clc1cccc(c1)N1CCN(CC1)C(=O)(C@H)(C(C)C)NC(=O)C1COc2c(O1)cccc2
InChI=1SC24H28ClN3O4c116(2)22(2623(29)21153119834920(19)3221)24(30)28121027(111328)1875617(25)1418h3914162122H101315H212H3(H2629)t21?22m0s1
MFCD18160020
N((2S)1(4(3chlorophenyl)piperazin1yl)3methyl1oxobutan2yl)23dihydro14benzodioxine2carboxamide
N((2S)1(4(3chlorophenyl)piperazin1yl)3methyl1oxobutan2yl)23dihydro14benzodioxine3carboxamide
N((S)1(4(3chlorophenyl)piperazin1yl)3methyl1oxobutan2yl)23dihydrobenzo(b)(14)dioxine2carboxamide
ZINC000020722503
ZINC000020722506

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Available files

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