Vitas-M small molecule compound
4-{[4-(2-cyanoethyl)piperazin-4-ium-1-yl]carbonothioyl}-2-methoxyphenolate
Catalog ID
STK569803
SMILES N#CCC[NH+]1CCN(CC1)C(=S)c1ccc(c(c1)OC)[O-]
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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 C15H19N3O2S MW 305.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O2S/c1-20-14-11-12(3-4-13(14)19)15(21)18-9-7-17(8-10-18)6-2-5-16/h3-4,11,19H,2,6-10H2,1H3InChIKey
XBBQFPXJYNIQGR-UHFFFAOYSA-NSynonyms
843631-36-74((4(2cyanoethyl)piperazin4ium1yl)carbonothioyl)2methoxyphenolate
4(4(2CYANOETHYL)PIPERAZIN4IUM1CARBOTHIOYL)2METHOXYPHENOLATE
843631367
COC1=C(C=CC(=C1)C(=S)N2CC(NH+)(CC2)CCC#N)(O)
InChI=1SC15H19N3O2Sc120141112(3413(14)19)15(21)189717(81018)62516h341119H2610H21H3
MFCD04016953
N#CCC(NH+)1CCN(CC1)C(=S)c1ccc(c(c1)OC)(O)
ZINC000020290645
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