Vitas-M small molecule compound
1-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)thiourea
Catalog ID
STK458604
SMILES COc1cc(ccc1NC(=S)Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)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 C20H16F5N5O3S MW 501.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F5N5O3S/c1-8-19(27-20(34)26-12-5-4-10(30(31)32)6-13(12)33-3)9(2)29(28-8)7-11-14(21)16(23)18(25)17(24)15(11)22/h4-6H,7H2,1-3H3,(H2,26,27,34)InChIKey
SYPVMYFDPMOXQD-UHFFFAOYSA-NSynonyms
1(35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)3(2methoxy4nitrophenyl)thiourea
1(35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)3(2methoxy4nitrophenyl)thiourea
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NC3=C(C=C(C=C3)(N+)(=O)(O))OC
COc1cc(ccc1NC(=S)Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)F)F)(N+)(=O)(O)
InChI=1SC20H16F5N5O3Sc1819(2720(34)26125410(30(31)32)613(12)333)9(2)29(288)71114(21)16(23)18(25)17(24)15(11)22h46H7H213H3(H2262734)
MFCD04137158
ZINC000016346180
ZINC16346180
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