Vitas-M small molecule compound

N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide

Catalog ID
STK936192
SMILES COCc1n[nH]/c(=N\C(=O)C2c3ccccc3C(=O)N(C32CCCCC3)CC(C)C)/s1

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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)13-27-21(29)17-10-6-5-9-16(17)19(23(27)11-7-4-8-12-23)20(28)24-22-26-25-18(31-22)14-30-3/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3,(H,24,26,28)
InChIKey
NHMGEWPITQEYRU-UHFFFAOYSA-N
Synonyms
1246035-89-1
1246035891
CC(C)CN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NN=C(S4)COC
COCc1n(nH)c(=NC(=O)C2c3ccccc3C(=O)N(C32CCCCC3)CC(C)C)s1
InChI=1SC23H30N4O3Sc115(2)132721(29)171065916(17)19(23(27)117481223)20(28)2422262518(3122)14303h569101519H4781114H213H3(H242628)
MFCD18178277
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)2(2methylpropyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
N(5(methoxymethyl)134thiadiazol2yl)2(2methylpropyl)1oxospiro(4Hisoquinoline31cyclohexane)4carboxamide
ZINC000044901687
ZINC000044901689

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Available files

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