Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(3R)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]propanamide
Catalog ID
STK931813
SMILES O=C(Nc1ccc2c(c1)OCCCO2)CC[C@H]1NC(=O)c2c(N=C1O)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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c25-19(22-13-6-8-17-18(12-13)29-11-3-10-28-17)9-7-16-21(27)23-15-5-2-1-4-14(15)20(26)24-16/h1-2,4-6,8,12,16H,3,7,9-11H2,(H,22,25)(H,23,27)(H,24,26)/t16-/m1/s1InChIKey
NQHVRZKWWXZHDM-MRXNPFEDSA-NSynonyms
1246055-11-71246055117
C1COC2=C(C=C(C=C2)NC(=O)CCC3C(=O)NC4=CC=CC=C4C(=O)N3)OC1
InChI=1SC21H21N3O5c2519(2213681718(1213)29113102817)971621(27)2315521414(15)20(26)2416h124681216H37911H2(H2225)(H2327)(H2426)t16m1s1
MFCD18177070
N(34dihydro2H15benzodioxepin7yl)3((3R)25dioxo34dihydro1H14benzodiazepin3yl)propanamide
N(34dihydro2H15benzodioxepin7yl)3((3R)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanamide
O=C(Nc1ccc2c(c1)OCCCO2)CC(C@H)1NC(=O)c2c(N=C1O)cccc2
ZINC000044892358
ZINC44892358
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