Vitas-M small molecule compound

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

Catalog ID
STL157683
SMILES CCC(N1C(=O)c2ccccc2C(C21CCCC2)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 C20H24N4O2S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O2S/c1-3-13(2)24-18(26)15-9-5-4-8-14(15)16(20(24)10-6-7-11-20)17(25)22-19-23-21-12-27-19/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3,(H,22,23,25)
InChIKey
YVQQKAOEEFOVIM-UHFFFAOYSA-N
Synonyms
1310946-34-9
1310946349
2(butan2yl)1oxoN((2E)134thiadiazol2(3H)ylidene)14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
2butan2yl1oxoN(134thiadiazol2yl)spiro(4Hisoquinoline31cyclopentane)4carboxamide
CCC(C)N1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)NC4=NN=CS4
CCC(N1C(=O)c2ccccc2C(C21CCCC2)C(=O)N=c1scn(nH)1)C
InChI=1SC20H24N4O2Sc1313(2)2418(26)15954814(15)16(20(24)10671120)17(25)22192321122719h4589121316H3671011H212H3(H222325)
MFCD20758088
ZINC000071280561
ZINC000071280567

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Available files

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