Vitas-M small molecule compound
2-{[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
Catalog ID
STL128642
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nccn2c1cc(n2)c1ccc(c(c1)C)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 C27H29N5O2S MW 487.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2S/c1-19-4-5-21(16-20(19)2)24-17-25-27(28-10-11-32(25)29-24)35-18-26(33)31-14-12-30(13-15-31)22-6-8-23(34-3)9-7-22/h4-11,16-17H,12-15,18H2,1-3H3InChIKey
DNSMLIKDFRJTHC-UHFFFAOYSA-NSynonyms
2((2(34dimethylphenyl)pyrazolo(15a)pyrazin4yl)sulfanyl)1(4(4methoxyphenyl)piperazin1yl)ethanone
2(2(34dimethylphenyl)pyrazolo(15a)pyrazin4yl)sulfanyl1(4(4methoxyphenyl)piperazin1yl)ethanone
CC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC)C
InChI=1SC27H29N5O2Sc1194521(1620(19)2)24172527(28101132(25)2924)351826(33)31141230(131531)226823(343)9722h4111617H121518H213H3
MFCD20742476
ZINC000067289959
ZINC67289959
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