Vitas-M small molecule compound
methyl 9-methyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL396033
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]
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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 C21H17N7O4S MW 463.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N7O4S/c1-11-8-15(28(30)31)24-26(11)9-13-4-6-14(7-5-13)18-23-19-16-12(2)17(21(29)32-3)33-20(16)22-10-27(19)25-18/h4-8,10H,9H2,1-3H3InChIKey
XBIRYVIZDDMKPU-UHFFFAOYSA-NSynonyms
1005634-02-51005634025
CC1=CC(=NN1CC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C(=C(S5)C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)Cn1nc(cc1C)(N+)(=O)(O)
InChI=1SC21H17N7O4Sc111815(28(30)31)2426(11)9134614(7513)1823191612(2)17(21(29)323)3320(16)221027(19)2518h4810H9H213H3
METHYL9METHYL2(4((5METHYL3NITRO1HPYRAZOL1YL)METHYL)PHENYL)THIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04133486
ZINC000002799571
ZINC02799571
ZINC2799571
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