Vitas-M small molecule compound
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]thiourea
Catalog ID
STK456098
SMILES COc1ccc(cc1OC)CCNC(=S)Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)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 C23H23F5N4O2S MW 514.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23F5N4O2S/c1-11-22(30-23(35)29-8-7-13-5-6-15(33-3)16(9-13)34-4)12(2)32(31-11)10-14-17(24)19(26)21(28)20(27)18(14)25/h5-6,9H,7-8,10H2,1-4H3,(H2,29,30,35)InChIKey
LQAZTPVBKRMJFN-UHFFFAOYSA-NSynonyms
1(2(34dimethoxyphenyl)ethyl)3(35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)thiourea
1(2(34dimethoxyphenyl)ethyl)3(35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)thiourea
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NCCC3=CC(=C(C=C3)OC)OC
InChI=1SC23H23F5N4O2Sc11122(3023(35)2987135615(333)16(913)344)12(2)32(3111)101417(24)19(26)21(28)20(27)18(14)25h569H7810H214H3(H2293035)
MFCD04137308
ZINC000002856679
ZINC02856679
ZINC2856679
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