Vitas-M small molecule compound
(3S)-3-{3-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-3-oxopropyl}-2-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one
Catalog ID
STK937442
SMILES OC1=Nc2ccccc2C(=O)N[C@H]1CCC(=O)N1CCN(CC1)C(=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 C25H26N4O6 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O6/c30-22(10-9-18-24(32)26-17-6-2-1-5-16(17)23(31)27-18)28-11-13-29(14-12-28)25(33)21-15-34-19-7-3-4-8-20(19)35-21/h1-8,18,21H,9-15H2,(H,26,32)(H,27,31)/t18-,21?/m0/s1InChIKey
YJURVKONPOIXBF-YMXDCFFPSA-NSynonyms
1246038-47-0(3S)3(3(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)3oxopropyl)2hydroxy34dihydro5H14benzodiazepin5one
(3S)3(3(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)3oxopropyl)34dihydro1H14benzodiazepine25dione
1246038470
C1CN(CCN1C(=O)CCC2C(=O)NC3=CC=CC=C3C(=O)N2)C(=O)C4COC5=CC=CC=C5O4
InChI=1SC25H26N4O6c3022(1091824(32)2617621516(17)23(31)2718)28111329(141228)25(33)21153419734820(19)3521h181821H915H2(H2632)(H2731)t1821?m0s1
MFCD18178684
OC1=Nc2ccccc2C(=O)N(C@H)1CCC(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
ZINC000044902823
ZINC000044902826
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