Vitas-M small molecule compound
3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Catalog ID
STL522800
SMILES COc1cc2C=CN(C(=O)Cc2cc1OC)CCC(=O)/N=c/1\[nH]nc(s1)CC(C)C
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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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-13(2)9-19-23-24-21(30-19)22-18(26)6-8-25-7-5-14-10-16(28-3)17(29-4)11-15(14)12-20(25)27/h5,7,10-11,13H,6,8-9,12H2,1-4H3,(H,22,24,26)InChIKey
KWLJSVNNCTUMLX-UHFFFAOYSA-NSynonyms
110206345
3(78dimethoxy2oxo1~(H)3benzazepin3yl)~(N)(5(2methylpropyl)134thiadiazol2yl)propanamide
3(78dimethoxy2oxo12dihydro3H3benzazepin3yl)N((2E)5(2methylpropyl)134thiadiazol2(3H)ylidene)propanamide
InChI=1SC21H26N4O4Sc113(2)919232421(3019)2218(26)682575141016(283)17(294)1115(14)1220(25)27h57101113H68912H214H3(H222426)
MFCD31752677
ZINC000253408576
ZINC253408576
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