Vitas-M small molecule compound
2-butyl-7-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Catalog ID
STK712868
SMILES CCCCc1nn2c(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 C20H21F3N6O3S MW 482.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F3N6O3S/c1-2-3-4-17-25-28-18(30)12-16(24-19(28)33-17)27-9-7-26(8-10-27)14-6-5-13(20(21,22)23)11-15(14)29(31)32/h5-6,11-12H,2-4,7-10H2,1H3InChIKey
RKOFSNHRZVHNJZ-UHFFFAOYSA-NSynonyms
2BUTYL7(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
2butyl7(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)5H(134)thiadiazolo(32a)pyrimidin5one
CCCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC20H21F3N6O3Sc123417252818(30)1216(2419(28)3317)279726(81027)146513(20(2122)23)1115(14)29(31)32h561112H24710H21H3
MFCD03941638
ZINC000005946685
ZINC5946685
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