Vitas-M small molecule compound
methyl 4-{[9-cyclopropyl-4-oxo-2-(trifluoromethyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-3-yl]oxy}benzoate
Catalog ID
STL099268
SMILES COC(=O)c1ccc(cc1)Oc1c(=O)c2ccc3c(c2oc1C(F)(F)F)CN(CO3)C1CC1
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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 C23H18F3NO6 MW 461.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18F3NO6/c1-30-22(29)12-2-6-14(7-3-12)32-20-18(28)15-8-9-17-16(10-27(11-31-17)13-4-5-13)19(15)33-21(20)23(24,25)26/h2-3,6-9,13H,4-5,10-11H2,1H3InChIKey
DGDAQQQQJQSWIK-UHFFFAOYSA-NSynonyms
951931-88-7951931887
COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC4=C3CN(CO4)C5CC5)C(F)(F)F
InChI=1SC23H18F3NO6c13022(29)122614(7312)322018(28)15891716(1027(113117)134513)19(15)3321(20)23(2425)26h236913H451011H21H3
methyl4((9cyclopropyl4oxo2(trifluoromethyl)48910tetrahydrochromeno(87e)(13)oxazin3yl)oxy)benzoate
methyl4((9cyclopropyl4oxo2(trifluoromethyl)810dihydropyrano(23f)(13)benzoxazin3yl)oxy)benzoate
methyl4((9cyclopropyl4oxo2(trifluoromethyl)910dihydro4H8Hchromeno(87e)(13)oxazin3yl)oxy)benzoate
METHYL4(9CYCLOPROPYL4OXO2(TRIFLUOROMETHYL)8H10HCHROMENO(87E)13OXAZAPERHYDROIN3YLOXY)BENZOATE
MFCD09852048
ZINC000013690774
ZINC13690774
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