Vitas-M small molecule compound
3-[(4-nitrobenzyl)sulfanyl]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK597372
SMILES Nn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1[nH]nc2c1CCC2
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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 C15H15N7O2S MW 357.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N7O2S/c16-21-14(13-11-2-1-3-12(11)17-18-13)19-20-15(21)25-8-9-4-6-10(7-5-9)22(23)24/h4-7H,1-3,8,16H2,(H,17,18)InChIKey
QXVJQDDRRYTUIS-UHFFFAOYSA-NSynonyms
900293-39-23((4nitrobenzyl)sulfanyl)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol4amine
3((4nitrobenzyl)thio)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol4amine
3((4nitrophenyl)methylsulfanyl)5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol4amine
5((4NITROPHENYL)METHYLTHIO)3(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE4YLAMINE
900293392
C1CC2=C(C1)NN=C2C3=NN=C(N3N)SCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC15H15N7O2Sc162114(131121312(11)171813)192015(21)25894610(759)22(23)24h47H13816H2(H1718)
MFCD07204743
Nn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1(nH)nc2c1CCC2
Nn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1n(nH)c2c1CCC2
ZINC000009088332
ZINC09088332
ZINC9088332
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