Vitas-M small molecule compound
(2Z)-2-{[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK759283
SMILES COc1cc([N+](=O)[O-])c(cc1c1ccc(o1)/C=c/1\sc2n(c1=O)c1c(n2)cccc1)Cl
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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 C21H12ClN3O5S MW 453.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClN3O5S/c1-29-18-10-16(25(27)28)13(22)9-12(18)17-7-6-11(30-17)8-19-20(26)24-15-5-3-2-4-14(15)23-21(24)31-19/h2-10H,1H3/b19-8-InChIKey
YNDVMMZYIYCVKS-UWVJOHFNSA-NSynonyms
(2Z)2((5(5CHLORO2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2((5(5chloro2methoxy4nitrophenyl)furan2yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
COC1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)Cl)(N+)(=O)(O)
COc1cc((N+)(=O)(O))c(cc1c1ccc(o1)C=c1sc2n(c1=O)c1c(n2)cccc1)Cl
InChI=1SC21H12ClN3O5Sc129181016(25(27)28)13(22)912(18)177611(3017)81920(26)2415532414(15)2321(24)3119h210H1H3b198
MFCD01461176
ZINC000008853990
ZINC08853990
ZINC8853990
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