Vitas-M small molecule compound
(4-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}phenyl)[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methanone
Catalog ID
STL311524
SMILES Cc1cc(C)[nH]/c(=N\c2ccc(cc2)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/c1-15-13-16(2)23-21(22-15)24-18-5-3-17(4-6-18)20(27)26-10-8-25(9-11-26)19-7-12-30(28,29)14-19/h3-6,13,19H,7-12,14H2,1-2H3,(H,22,23,24)InChIKey
BSRATLJNWPXRLH-UHFFFAOYSA-NSynonyms
1401598-05-7(4(((2E)46dimethylpyrimidin2(1H)ylidene)amino)phenyl)(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methanone
1401598057
Cc1cc(C)(nH)c(=Nc2ccc(cc2)C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)n1
MFCD28026145
ZINC000079489017
ZINC000079489023
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