Vitas-M small molecule compound
2'-(2-methoxyethyl)-1'-oxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL153998
SMILES COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c/1\[nH]nc(s1)C(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 C23H30N4O3S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O3S/c1-15(2)20-25-26-22(31-20)24-19(28)18-16-9-5-6-10-17(16)21(29)27(13-14-30-3)23(18)11-7-4-8-12-23/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3,(H,24,26,28)InChIKey
WZZZNSZKHZEKRM-UHFFFAOYSA-NSynonyms
1246036-34-91246036349
2(2methoxyethyl)1oxoN((2E)5(propan2yl)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
2(2methoxyethyl)1oxoN(5propan2yl134thiadiazol2yl)spiro(4Hisoquinoline31cyclohexane)4carboxamide
CC(C)C1=NN=C(S1)NC(=O)C2C3=CC=CC=C3C(=O)N(C24CCCCC4)CCOC
COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1(nH)nc(s1)C(C)C
InChI=1SC23H30N4O3Sc115(2)20252622(3120)2419(28)18169561017(16)21(29)27(1314303)23(18)117481223h569101518H4781114H213H3(H242628)
MFCD20756849
ZINC000049545327
ZINC000049545329
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