Vitas-M small molecule compound
N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL159117
SMILES COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c/1\[nH]nc(s1)CC
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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/c1-3-17-24-25-21(30-17)23-19(27)18-15-9-5-6-10-16(15)20(28)26(13-14-29-2)22(18)11-7-4-8-12-22/h5-6,9-10,18H,3-4,7-8,11-14H2,1-2H3,(H,23,25,27)InChIKey
HBMPNAZFYCXCAD-UHFFFAOYSA-NSynonyms
1246036-68-91246036689
CCC1=NN=C(S1)NC(=O)C2C3=CC=CC=C3C(=O)N(C24CCCCC4)CCOC
COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1(nH)nc(s1)CC
InChI=1SC22H28N4O3Sc1317242521(3017)2319(27)18159561016(15)20(28)26(1314292)22(18)117481222h5691018H34781114H212H3(H232527)
MFCD20758586
N((2E)5ethyl134thiadiazol2(3H)ylidene)2(2methoxyethyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
N(5ethyl134thiadiazol2yl)2(2methoxyethyl)1oxospiro(4Hisoquinoline31cyclohexane)4carboxamide
ZINC000049544123
ZINC000049544124
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