Vitas-M small molecule compound
2-[(3R)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]acetamide
Catalog ID
STK931482
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)C[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 C21H19N5O4S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S/c1-30-13-8-6-12(7-9-13)10-18-25-26-21(31-18)24-17(27)11-16-20(29)22-15-5-3-2-4-14(15)19(28)23-16/h2-9,16H,10-11H2,1H3,(H,22,29)(H,23,28)(H,24,26,27)/t16-/m1/s1InChIKey
IHYKJZQESWVPPU-MRXNPFEDSA-NSynonyms
1246049-51-31246049513
2((3R)25dioxo34dihydro1H14benzodiazepin3yl)N(5((4methoxyphenyl)methyl)134thiadiazol2yl)acetamide
2((3R)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(5(4methoxybenzyl)134thiadiazol2yl)acetamide
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CC3C(=O)NC4=CC=CC=C4C(=O)N3
COc1ccc(cc1)Cc1nnc(s1)NC(=O)C(C@H)1NC(=O)c2c(N=C1O)cccc2
InChI=1SC21H19N5O4Sc130138612(7913)1018252621(3118)2417(27)111620(29)2215532414(15)19(28)2316h2916H1011H21H3(H2229)(H2328)(H242627)t16m1s1
MFCD18176970
ZINC000044892020
ZINC44892020
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