Vitas-M small molecule compound
4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
Catalog ID
STK806914
SMILES CCOc1ccc(cc1)NC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3
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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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c1-2-34-21-11-9-20(10-12-21)28-27(35)30-16-13-29(14-17-30)15-18-31-25(32)22-7-3-5-19-6-4-8-23(24(19)22)26(31)33/h3-12H,2,13-18H2,1H3,(H,28,35)InChIKey
BQTQATUMRFBNDL-UHFFFAOYSA-NSynonyms
442557-39-34(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ETHYL)N(4ETHOXYPHENYL)1PIPERAZINECARBOTHIOAMIDE
4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)N(4ethoxyphenyl)piperazine1carbothioamide
4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)N(4ETHOXYPHENYL)PIPERAZINE1CARBOTHIOAMIDE
442557393
CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC27H28N4O3Sc12342111920(101221)2827(35)30161329(141730)15183125(32)227351964823(24(19)22)26(31)33h312H21318H21H3(H2835)
MFCD03268984
ZINC000019938291
ZINC19938291
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