Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][5-(thiophen-2-yl)-1H-pyrazol-3-yl]methanone

Catalog ID
STL027276
SMILES O=C(c1n[nH]c(c1)c1cccs1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c25-20(16-11-15(21-22-16)19-2-1-9-28-19)24-7-5-23(6-8-24)12-14-3-4-17-18(10-14)27-13-26-17/h1-4,9-11H,5-8,12-13H2,(H,21,22)
InChIKey
HQRFGSMBNPVXGI-UHFFFAOYSA-N
Synonyms

(4(13benzodioxol5ylmethyl)piperazin1yl)(5(thiophen2yl)1Hpyrazol3yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(5thiophen2yl1Hpyrazol3yl)methanone
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NNC(=C4)C5=CC=CS5
InChI=1SC20H20N4O3Sc2520(161115(212216)192192819)247523(6824)1214341718(1014)27132617h14911H581213H2(H2122)
MFCD18187930
O=C(c1n(nH)c(c1)c1cccs1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000015679254
ZINC15679254

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Available files

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