Vitas-M small molecule compound
N-({4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}carbonothioyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK835880
SMILES S=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)NC(=O)c1ccc2c(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 C27H24N4O5S MW 516.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5S/c32-24(18-7-8-21-22(15-18)36-16-35-21)28-27(37)30-12-9-29(10-13-30)11-14-31-25(33)19-5-1-3-17-4-2-6-20(23(17)19)26(31)34/h1-8,15H,9-14,16H2,(H,28,32,37)InChIKey
HLGFMISZKQZSNV-UHFFFAOYSA-NSynonyms
325694-87-9325694879
C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC(=O)C5=CC6=C(C=C5)OCO6
InChI=1SC27H24N4O5Sc3224(18782122(1518)36163521)2827(37)3012929(101330)11143125(33)195131742620(23(17)19)26(31)34h1815H91416H2(H283237)
MFCD01950964
N((4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)piperazin1yl)carbonothioyl)13benzodioxole5carboxamide
N(4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)piperazine1carbonothioyl)benzo(d)(13)dioxole5carboxamide
N(4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)PIPERAZINE1CARBOTHIOYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000019706979
ZINC19706979
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