Vitas-M small molecule compound
2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Catalog ID
STK523803
SMILES CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[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 C20H20F3N7O5S MW 527.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N7O5S/c1-2-3-4-16-25-28-17(31)11-15(24-19(28)36-16)26-5-7-27(8-6-26)18-13(29(32)33)9-12(20(21,22)23)10-14(18)30(34)35/h9-11H,2-8H2,1H3InChIKey
MESVENFGOJWQDM-UHFFFAOYSA-NSynonyms
2BUTYL7(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
2butyl7(4(26dinitro4(trifluoromethyl)phenyl)piperazin1yl)5H(134)thiadiazolo(32a)pyrimidin5one
CCCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=C(C=C4(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC20H20F3N7O5Sc123416252817(31)1115(2419(28)3616)265727(8626)1813(29(32)33)912(20(2122)23)1014(18)30(34)35h911H28H21H3
MFCD03941632
ZINC000005946671
ZINC5946671
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