Vitas-M small molecule compound
(2Z)-2-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK727501
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=c/1\sc2n(c1=O)c1c(n2)cccc1
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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 C24H14F3N3O5S MW 513.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H14F3N3O5S/c1-34-20-10-13(11-21-22(31)29-16-5-3-2-4-15(16)28-23(29)36-21)6-8-19(20)35-18-9-7-14(24(25,26)27)12-17(18)30(32)33/h2-12H,1H3/b21-11-InChIKey
VZHMZZKTCMYZDK-NHDPSOOVSA-NSynonyms
(2Z)2((3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(3methoxy4(2nitro4(trifluoromethyl)phenoxy)benzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(E)2(3methoxy4(2nitro4(trifluoromethyl)phenoxy)benzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
COC1=C(C=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)OC5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC24H14F3N3O5Sc134201013(112122(31)2916532415(16)2823(29)3621)6819(20)35189714(24(2526)27)1217(18)30(32)33h212H1H3b2111
MFCD03566352
ZINC000034718946
ZINC34718946
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