Vitas-M small molecule compound
6-[5-(4-chloro-2-nitrophenyl)-2-methylfuran-3-yl]-3-(2-methylfuran-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL109911
SMILES Clc1ccc(c(c1)[N+](=O)[O-])c1oc(c(c1)c1nn2c(s1)nnc2c1ccoc1C)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H12ClN5O4S MW 441.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClN5O4S/c1-9-12(5-6-28-9)17-21-22-19-24(17)23-18(30-19)14-8-16(29-10(14)2)13-4-3-11(20)7-15(13)25(26)27/h3-8H,1-2H3InChIKey
XTJWMZASZQKURB-UHFFFAOYSA-NSynonyms
6(5(4chloro2nitrophenyl)2methylfuran3yl)3(2methylfuran3yl)(124)triazolo(34b)(134)thiadiazole
CC1=C(C=CO1)C2=NN=C3N2N=C(S3)C4=C(OC(=C4)C5=C(C=C(C=C5)Cl)(N+)(=O)(O))C
Clc1ccc(c(c1)(N+)(=O)(O))c1oc(c(c1)c1nn2c(s1)nnc2c1ccoc1C)C
InChI=1SC19H12ClN5O4Sc1912(56289)1721221924(17)2318(3019)14816(2910(14)2)134311(20)715(13)25(26)27h38H12H3
MFCD20744780
ZINC000067299812
ZINC67299812
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