Vitas-M small molecule compound

2'-(2-methylpropyl)-1'-oxo-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide

Catalog ID
STK932167
SMILES CC(CN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c\1/scn[nH]1)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-14(2)12-25-19(27)16-9-5-4-8-15(16)17(21(25)10-6-3-7-11-21)18(26)23-20-24-22-13-28-20/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,23,24,26)
InChIKey
NGCQPRRRGCJECW-UHFFFAOYSA-N
Synonyms
1246035-98-2
1246035982
2(2methylpropyl)1oxoN((2E)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
2(2methylpropyl)1oxoN(134thiadiazol2yl)spiro(4Hisoquinoline31cyclohexane)4carboxamide
CC(C)CN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NN=CS4
CC(CN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N=c1scn(nH)1)C
InChI=1SC21H26N4O2Sc114(2)122519(27)16954815(16)17(21(25)106371121)18(26)23202422132820h4589131417H3671012H212H3(H232426)
MFCD18177161
ZINC000044892656
ZINC000044892659

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Available files

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