Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperazine-1-carbothioamide
Catalog ID
STK447003
SMILES CCn1nc(c(c1)CN1CCN(CC1)C(=S)Nc1ccc2c(c1)OCCO2)C
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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 C20H27N5O2S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O2S/c1-3-25-14-16(15(2)22-25)13-23-6-8-24(9-7-23)20(28)21-17-4-5-18-19(12-17)27-11-10-26-18/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,21,28)InChIKey
JWSKBKOSGQGPAE-UHFFFAOYSA-NSynonyms
(2H3HBENZO(34E)14DIOXIN6YLAMINO)(4((1ETHYL3METHYLPYRAZOL4YL)METHYL)PIPERAZINYL)METHANE1THIONE
CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC20H27N5O2Sc13251416(15(2)2225)13236824(9723)20(28)2117451819(1217)2711102618h451214H361113H212H3(H2128)
MFCD04059409
N(23dihydro14benzodioxin6yl)4((1ethyl3methyl1Hpyrazol4yl)methyl)piperazine1carbothioamide
N(23dihydro14benzodioxin6yl)4((1ethyl3methylpyrazol4yl)methyl)piperazine1carbothioamide
ZINC000020215341
ZINC20215341
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