Vitas-M small molecule compound

1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl 3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbimidothioate

Catalog ID
STK134438
SMILES CCCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)SC(=N)N1N=C(CC1c1ccccc1)c1ccccc1

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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 C32H34N4O3S MW 554.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O3S/c1-2-3-4-11-20-39-26-18-16-25(17-19-26)35-30(37)22-29(31(35)38)40-32(33)36-28(24-14-9-6-10-15-24)21-27(34-36)23-12-7-5-8-13-23/h5-10,12-19,28-29,33H,2-4,11,20-22H2,1H3/b33-32+
InChIKey
COHLNKQERVOVFA-ULIFNZDWSA-N
Synonyms

1(4(hexyloxy)phenyl)25dioxopyrrolidin3yl35diphenyl45dihydro1Hpyrazole1carbimidothioate
MFCD01036434
ZINC000008440299
ZINC000101129862

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Available files

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