Vitas-M small molecule compound
methyl 5-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-4-nitro-1H-pyrazole-3-carboxylate
Catalog ID
STK399846
SMILES COC(=O)c1n[nH]c(c1[N+](=O)[O-])Sc1nnc(n1C)Cn1ccc(n1)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 C13H14N8O4S MW 378.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N8O4S/c1-7-4-5-20(18-7)6-8-14-17-13(19(8)2)26-11-10(21(23)24)9(15-16-11)12(22)25-3/h4-5H,6H2,1-3H3,(H,15,16)InChIKey
GAXVVIRESLNVAG-UHFFFAOYSA-NSynonyms
1159918-61-21159918612
CC1=NN(C=C1)CC2=NN=C(N2C)SC3=NNC(=C3(N+)(=O)(O))C(=O)OC
COC(=O)c1n(nH)c(c1(N+)(=O)(O))Sc1nnc(n1C)Cn1ccc(n1)C
InChI=1SC13H14N8O4Sc174520(187)68141713(19(8)2)261110(21(23)24)9(151611)12(22)253h45H6H213H3(H1516)
methyl3((4methyl5((3methylpyrazol1yl)methyl)124triazol3yl)sulfanyl)4nitro1Hpyrazole5carboxylate
methyl5((4methyl5((3methyl1Hpyrazol1yl)methyl)4H124triazol3yl)sulfanyl)4nitro1Hpyrazole3carboxylate
METHYL5((4METHYL5((3METHYL1HPYRAZOL1YL)METHYL)4H124TRIAZOL3YL)THIO)4NITRO1HPYRAZOLE3CARBOXYLATE
MFCD04967349
ZINC000015932762
ZINC15932762
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