Vitas-M small molecule compound
1-[4-(butan-2-yl)phenyl]-3-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]thiourea
Catalog ID
STK457205
SMILES CCC(c1ccc(cc1)NC(=S)Nc1cc(OCC(C(F)F)(F)F)cc(c1)[N+](=O)[O-])C
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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 C20H21F4N3O3S MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F4N3O3S/c1-3-12(2)13-4-6-14(7-5-13)25-19(31)26-15-8-16(27(28)29)10-17(9-15)30-11-20(23,24)18(21)22/h4-10,12,18H,3,11H2,1-2H3,(H2,25,26,31)InChIKey
DMEZDPNDQLVFPU-UHFFFAOYSA-NSynonyms
1(4(butan2yl)phenyl)3(3nitro5(2233tetrafluoropropoxy)phenyl)thiourea
1(4butan2ylphenyl)3(3nitro5(2233tetrafluoropropoxy)phenyl)thiourea
CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OCC(C(F)F)(F)F)(N+)(=O)(O)
CCC(c1ccc(cc1)NC(=S)Nc1cc(OCC(C(F)F)(F)F)cc(c1)(N+)(=O)(O))C
InChI=1SC20H21F4N3O3Sc1312(2)134614(7513)2519(31)2615816(27(28)29)1017(915)301120(2324)18(21)22h4101218H311H212H3(H2252631)
MFCD04137432
ZINC000002853010
ZINC000002853011
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