Vitas-M small molecule compound
4-[({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)amino]phenyl thiocyanate
Catalog ID
STL017816
SMILES N#CSc1ccc(cc1)NC(=O)c1nnn(c1C)c1ccc2c(c1)c(on2)c1ccc(cc1)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 C24H15ClN6O2S MW 486.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15ClN6O2S/c1-14-22(24(32)27-17-6-9-19(10-7-17)34-13-26)28-30-31(14)18-8-11-21-20(12-18)23(33-29-21)15-2-4-16(25)5-3-15/h2-12H,1H3,(H,27,32)InChIKey
PSXLOYURIASCQC-UHFFFAOYSA-NSynonyms
(1(3(4CHLOROPHENYL)BENZO(C)ISOXAZOL5YL)5METHYL(123TRIAZOL4YL))N(4CYANOTHIOPHENYL)CARBOXAMIDE
(4((1(3(4chlorophenyl)21benzoxazol5yl)5methyltriazole4carbonyl)amino)phenyl)thiocyanate
4(((1(3(4chlorophenyl)21benzoxazol5yl)5methyl1H123triazol4yl)carbonyl)amino)phenylthiocyanate
CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C(=O)NC5=CC=C(C=C5)SC#N
InChI=1SC24H15ClN6O2Sc11422(24(32)27176919(10717)341326)283031(14)188112120(1218)23(332921)152416(25)5315h212H1H3(H2732)
MFCD10081897
ZINC000012273985
ZINC12273985
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