Vitas-M small molecule compound
(3-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}phenyl)[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methanone
Catalog ID
STL320179
SMILES Cc1cc(C)[nH]/c(=N\c2cccc(c2)C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)/n1
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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 C21H27N5O3S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3S/c1-15-12-16(2)23-21(22-15)24-18-5-3-4-17(13-18)20(27)26-9-7-25(8-10-26)19-6-11-30(28,29)14-19/h3-5,12-13,19H,6-11,14H2,1-2H3,(H,22,23,24)InChIKey
FWMKZRRZXLDGQO-UHFFFAOYSA-NSynonyms
1401557-22-9(3(((2E)46dimethylpyrimidin2(1H)ylidene)amino)phenyl)(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methanone
1401557229
Cc1cc(C)(nH)c(=Nc2cccc(c2)C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)n1
MFCD28029350
ZINC000079483469
ZINC000079483473
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