Vitas-M small molecule compound
3-(4-methoxybenzyl)-6-(4-methyl-3-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK238788
SMILES COc1ccc(cc1)Cc1nnc2n1nc(s2)c1ccc(c(c1)[N+](=O)[O-])C
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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 C18H15N5O3S MW 381.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O3S/c1-11-3-6-13(10-15(11)23(24)25)17-21-22-16(19-20-18(22)27-17)9-12-4-7-14(26-2)8-5-12/h3-8,10H,9H2,1-2H3InChIKey
PUBNHZYBEJRVIK-UHFFFAOYSA-NSynonyms
3((4methoxyphenyl)methyl)6(4methyl3nitrophenyl)(124)triazolo(34b)(134)thiadiazole
3(4methoxybenzyl)6(4methyl3nitrophenyl)(124)triazolo(34b)(134)thiadiazole
CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)CC4=CC=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1)Cc1nnc2n1nc(s2)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC18H15N5O3Sc1113613(1015(11)23(24)25)17212216(192018(22)2717)9124714(262)8512h3810H9H212H3
MFCD08684044
ZINC000008392895
ZINC08392895
ZINC8392895
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