Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-N-(bicyclo[2.2.1]hept-2-yl)piperazine-1-carbothioamide

Catalog ID
STK448107
SMILES S=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)NC1CC2CC1CC2

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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 C20H27N3O2S MW 373.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O2S/c26-20(21-17-10-14-1-3-16(17)9-14)23-7-5-22(6-8-23)12-15-2-4-18-19(11-15)25-13-24-18/h2,4,11,14,16-17H,1,3,5-10,12-13H2,(H,21,26)
InChIKey
DSTYRSYHTVOIEM-UHFFFAOYSA-N
Synonyms

(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)(BICYCLO(221)HEPT2YLAMINO)METHANE1THIONE
4(13BENZODIOXOL5YLMETHYL)N((1R2S4S)BICYCLO(221)HEPT2YL)PIPERAZINE1CARBOTHIOAMIDE
4(13BENZODIOXOL5YLMETHYL)N(3BICYCLO(221)HEPTANYL)PIPERAZINE1CARBOTHIOAMIDE
4(13benzodioxol5ylmethyl)N(bicyclo(221)hept2yl)piperazine1carbothioamide
C1CC2CC1CC2NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC20H27N3O2Sc2620(211710141316(17)914)237522(6823)1215241819(1115)25132418h2411141617H135101213H2(H2126)
MFCD04137967
ZINC000102248578
ZINC000102248584

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Available files

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