Vitas-M small molecule compound
(5Z)-2-imino-5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-1,3-thiazolidin-4-one
Catalog ID
STK758291
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=C/1\SC(=N)NC1=O
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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 C18H12F3N3O5S MW 439.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12F3N3O5S/c1-28-14-6-9(7-15-16(25)23-17(22)30-15)2-4-13(14)29-12-5-3-10(18(19,20)21)8-11(12)24(26)27/h2-8H,1H3,(H2,22,23,25)/b15-7-InChIKey
DKUJZALKSVSROU-CHHVJCJISA-NSynonyms
(5Z)2AMINO5((3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2imino5(3methoxy4(2nitro4(trifluoromethyl)phenoxy)benzylidene)13thiazolidin4one
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=C1SC(=N)NC1=O
InChI=1SC18H12F3N3O5Sc1281469(71516(25)2317(22)3015)2413(14)29125310(18(1920)21)811(12)24(26)27h28H1H3(H2222325)b157
MFCD01066220
ZINC000008853479
ZINC08853479
ZINC8853479
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