Vitas-M small molecule compound
ethyl 2-({[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK343683
SMILES CCOC(=O)c1c(NC(=O)c2cc3n(n2)c(c2c(n3)c3ccccc3CC2)C(F)(F)F)sc2c1CCCC2
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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 C27H23F3N4O3S MW 540.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N4O3S/c1-2-37-26(36)21-16-9-5-6-10-19(16)38-25(21)32-24(35)18-13-20-31-22-15-8-4-3-7-14(15)11-12-17(22)23(27(28,29)30)34(20)33-18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,32,35)InChIKey
HORDRGDNNVTRKB-UHFFFAOYSA-NSynonyms
330950-18-0330950180
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=C3)N=C5C(=C4C(F)(F)F)CCC6=CC=CC=C65
ethyl2(((7(trifluoromethyl)56dihydrobenzo(h)pyrazolo(51b)quinazolin10yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(7(trifluoromethyl)56dihydrobenzo(h)pyrazolo(51b)quinazoline10carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC27H23F3N4O3Sc123726(36)21169561019(16)3825(21)3224(35)181320312215843714(15)111217(22)23(27(2829)30)34(20)3318h347813H256912H21H3(H3235)
MFCD01528647
ZINC000002049907
ZINC02049907
ZINC2049907
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