Vitas-M small molecule compound
2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone
Catalog ID
STK017142
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CSc1nc2c([nH]1)cccc2
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c26-20(13-29-21-22-16-3-1-2-4-17(16)23-21)25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2,(H,22,23)InChIKey
BHRAPAARZMGGPU-UHFFFAOYSA-NSynonyms
510766-35-52((1Hbenzo(d)imidazol2yl)thio)1(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)ethanone
2(1HBENZIMIDAZOL2YLSULFANYL)1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)ETHANONE
510766355
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=CC=CC=C5N4
InChI=1SC21H22N4O3Sc2620(1329212216312417(16)2321)259724(81025)1215561819(1115)28142718h1611H7101214H2(H2223)
MFCD03194524
O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CSc1nc2c((nH)1)cccc2
STK017142
ZINC000019907447
ZINC19907447
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