Vitas-M small molecule compound
2'-(2-methoxyethyl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL154019
SMILES COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c/1\[nH]nc(s1)COC
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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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-29-13-12-26-20(28)16-9-5-4-8-15(16)18(22(26)10-6-3-7-11-22)19(27)23-21-25-24-17(31-21)14-30-2/h4-5,8-9,18H,3,6-7,10-14H2,1-2H3,(H,23,25,27)InChIKey
JMXTXUOQYDYQFO-UHFFFAOYSA-NSynonyms
1246036-70-31246036703
2(2methoxyethyl)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)1oxo14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
2(2methoxyethyl)N(5(methoxymethyl)134thiadiazol2yl)1oxospiro(4Hisoquinoline31cyclohexane)4carboxamide
COCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NN=C(S4)COC
COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1(nH)nc(s1)COC
InChI=1SC22H28N4O4Sc12913122620(28)16954815(16)18(22(26)106371122)19(27)2321252417(3121)14302h458918H3671014H212H3(H232527)
MFCD20756852
ZINC000049545757
ZINC000049545758
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