Vitas-M small molecule compound

2-butyl-7-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Catalog ID
STK712863
SMILES CCCCc1sc2n(n1)c(=O)cc(n2)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[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 C19H21ClN6O3S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6O3S/c1-2-3-7-16-22-25-17(27)12-15(21-19(25)30-16)23-8-10-24(11-9-23)18-13(20)5-4-6-14(18)26(28)29/h4-6,12H,2-3,7-11H2,1H3
InChIKey
WXRUNGIAGMITCT-UHFFFAOYSA-N
Synonyms

2BUTYL7(4(2CHLORO6NITROPHENYL)PIPERAZIN1YL)(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
2butyl7(4(2chloro6nitrophenyl)piperazin1yl)5H(134)thiadiazolo(32a)pyrimidin5one
CCCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=CC=C4Cl)(N+)(=O)(O)
CCCCc1sc2n(n1)c(=O)cc(n2)N1CCN(CC1)c1c(Cl)cccc1(N+)(=O)(O)
InChI=1SC19H21ClN6O3Sc123716222517(27)1215(2119(25)3016)2381024(11923)1813(20)54614(18)26(28)29h4612H23711H21H3
MFCD03941630
ZINC000005946673
ZINC5946673

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Available files

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