Vitas-M small molecule compound
3-[(3R)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]propanamide
Catalog ID
STK937990
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)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 C22H21N5O4S MW 451.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4S/c1-31-14-8-6-13(7-9-14)12-19-26-27-22(32-19)25-18(28)11-10-17-21(30)23-16-5-3-2-4-15(16)20(29)24-17/h2-9,17H,10-12H2,1H3,(H,23,30)(H,24,29)(H,25,27,28)/t17-/m1/s1InChIKey
PJKFSJKZMQROTL-QGZVFWFLSA-NSynonyms
1246045-75-91246045759
3((3R)25dioxo34dihydro1H14benzodiazepin3yl)N(5((4methoxyphenyl)methyl)134thiadiazol2yl)propanamide
3((3R)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(5(4methoxybenzyl)134thiadiazol2yl)propanamide
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCC3C(=O)NC4=CC=CC=C4C(=O)N3
COc1ccc(cc1)Cc1nnc(s1)NC(=O)CC(C@H)1NC(=O)c2c(N=C1O)cccc2
InChI=1SC22H21N5O4Sc131148613(7914)1219262722(3219)2518(28)11101721(30)2316532415(16)20(29)2417h2917H1012H21H3(H2330)(H2429)(H252728)t17m1s1
MFCD18178832
ZINC000044903317
ZINC44903317
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