Vitas-M small molecule compound

N-[(2Z)-5-cyclobutyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-dioxo-2-(3-phenylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide

Catalog ID
STL157524
SMILES O=C1c2cc(ccc2C(=O)N1CCCc1ccccc1)C(=O)/N=c\1/[nH]nc(s1)C1CCC1

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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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c29-20(25-24-27-26-21(32-24)16-9-4-10-16)17-11-12-18-19(14-17)23(31)28(22(18)30)13-5-8-15-6-2-1-3-7-15/h1-3,6-7,11-12,14,16H,4-5,8-10,13H2,(H,25,27,29)
InChIKey
DLWHPOQMFODXIP-UHFFFAOYSA-N
Synonyms
1282104-35-1
1282104351
C1CC(C1)C2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCC5=CC=CC=C5
InChI=1SC24H22N4O3Sc2920(2524272621(3224)16941016)1711121819(1417)23(31)28(22(18)30)1358156213715h136711121416H4581013H2(H252729)
MFCD20758034
N((2Z)5cyclobutyl134thiadiazol2(3H)ylidene)13dioxo2(3phenylpropyl)23dihydro1Hisoindole5carboxamide
N(5cyclobutyl134thiadiazol2yl)13dioxo2(3phenylpropyl)isoindole5carboxamide
O=C1c2cc(ccc2C(=O)N1CCCc1ccccc1)C(=O)N=c1(nH)nc(s1)C1CCC1
ZINC000061718990
ZINC61718990

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.