Vitas-M small molecule compound
3-[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
Catalog ID
STK943295
SMILES COc1ccc2c(c1)sc(n2)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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-28-11-6-7-14-16(10-11)29-20(23-14)24-17(25)9-8-15-19(27)21-13-5-3-2-4-12(13)18(26)22-15/h2-7,10,15H,8-9H2,1H3,(H,21,27)(H,22,26)(H,23,24,25)/t15-/m0/s1InChIKey
JHJGUXJLFAMSQI-HNNXBMFYSA-NSynonyms
1246051-84-21246051842
3((3S)25dioxo34dihydro1H14benzodiazepin3yl)N(6methoxy13benzothiazol2yl)propanamide
3((3S)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(6methoxy13benzothiazol2yl)propanamide
COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3C(=O)NC4=CC=CC=C4C(=O)N3
COc1ccc2c(c1)sc(n2)NC(=O)CC(C@@H)1NC(=O)c2c(N=C1O)cccc2
InChI=1SC20H18N4O4Sc12811671416(1011)2920(2314)2417(25)981519(27)2113532412(13)18(26)2215h271015H89H21H3(H2127)(H2226)(H232425)t15m0s1
MFCD18180352
ZINC000044922012
ZINC44922012
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