Vitas-M small molecule compound
N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL158185
SMILES COCc1n[nH]/c(=N\C(=O)C2c3ccccc3C(=O)N(C32CCCC3)CC(C)C)/s1
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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 C22H28N4O3S MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3S/c1-14(2)12-26-20(28)16-9-5-4-8-15(16)18(22(26)10-6-7-11-22)19(27)23-21-25-24-17(30-21)13-29-3/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3,(H,23,25,27)InChIKey
RMHPHUKKIJHYLL-UHFFFAOYSA-NSynonyms
1323954-70-61323954706
CC(C)CN1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)NC4=NN=C(S4)COC
COCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C32CCCC3)CC(C)C)s1
InChI=1SC22H28N4O3Sc114(2)122620(28)16954815(16)18(22(26)10671122)19(27)2321252417(3021)13293h45891418H671013H213H3(H232527)
MFCD20758261
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)2(2methylpropyl)1oxo14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
N(5(methoxymethyl)134thiadiazol2yl)2(2methylpropyl)1oxospiro(4Hisoquinoline31cyclopentane)4carboxamide
ZINC000071279589
ZINC000071279590
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