Vitas-M small molecule compound
2'-(butan-2-yl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL160040
SMILES COCc1n[nH]/c(=N\C(=O)C2c3ccccc3C(=O)N(C32CCCC3)C(CC)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/c1-4-14(2)26-20(28)16-10-6-5-9-15(16)18(22(26)11-7-8-12-22)19(27)23-21-25-24-17(30-21)13-29-3/h5-6,9-10,14,18H,4,7-8,11-13H2,1-3H3,(H,23,25,27)InChIKey
IESWRLNMHKEQIV-UHFFFAOYSA-NSynonyms
1310946-41-81310946418
2(butan2yl)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)1oxo14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
2butan2ylN(5(methoxymethyl)134thiadiazol2yl)1oxospiro(4Hisoquinoline31cyclopentane)4carboxamide
CCC(C)N1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)NC4=NN=C(S4)COC
COCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C32CCCC3)C(CC)C)s1
InChI=1SC22H28N4O3Sc1414(2)2620(28)161065915(16)18(22(26)11781222)19(27)2321252417(3021)13293h569101418H4781113H213H3(H232527)
MFCD20758881
ZINC000071280851
ZINC000071280856
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