Vitas-M small molecule compound
7-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Catalog ID
STK712867
SMILES CCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C19H19F3N6O3S MW 468.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N6O3S/c1-2-3-16-24-27-17(29)11-15(23-18(27)32-16)26-8-6-25(7-9-26)13-5-4-12(19(20,21)22)10-14(13)28(30)31/h4-5,10-11H,2-3,6-9H2,1H3InChIKey
RXMIRXUVLRZAMS-UHFFFAOYSA-NSynonyms
7(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)2PROPYL(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
7(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)2propyl5H(134)thiadiazolo(32a)pyrimidin5one
CCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
CCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC19H19F3N6O3Sc12316242717(29)1115(2318(27)3216)268625(7926)135412(19(2021)22)1014(13)28(30)31h451011H2369H21H3
MFCD03941637
ZINC000005946910
ZINC5946910
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