Vitas-M small molecule compound
ethyl [(2Z)-2-({[1-(3,5-difluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STL152627
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)c2cnn(c2n2cccc2)c2cc(F)cc(c2)F)/[nH]1
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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 C21H17F2N5O3S MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F2N5O3S/c1-2-31-18(29)10-15-12-32-21(25-15)26-19(30)17-11-24-28(20(17)27-5-3-4-6-27)16-8-13(22)7-14(23)9-16/h3-9,11-12H,2,10H2,1H3,(H,25,26,30)InChIKey
ZWWSLNKDZCGOHC-UHFFFAOYSA-NSynonyms
1246067-01-51246067015
CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(N(N=C2)C3=CC(=CC(=C3)F)F)N4C=CC=C4
CCOC(=O)Cc1csc(=NC(=O)c2cnn(c2n2cccc2)c2cc(F)cc(c2)F)(nH)1
ethyl((2Z)2(((1(35difluorophenyl)5(1Hpyrrol1yl)1Hpyrazol4yl)carbonyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((1(35difluorophenyl)5pyrrol1ylpyrazole4carbonyl)amino)13thiazol4yl)acetate
InChI=1SC21H17F2N5O3Sc123118(29)1015123221(2515)2619(30)17112428(20(17)27534627)16813(22)714(23)916h391112H210H21H3(H252630)
MFCD20756416
ZINC000049549074
ZINC49549074
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