Vitas-M small molecule compound
methyl 2-{1-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL399360
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccn(n1)Cn1nc(c(c1C)[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 C19H17N9O4S MW 467.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N9O4S/c1-9-13-17-21-16(24-26(17)7-20-18(13)33-15(9)19(29)32-4)12-5-6-25(23-12)8-27-11(3)14(28(30)31)10(2)22-27/h5-7H,8H2,1-4H3InChIKey
HRXOBUSCQXNNTG-UHFFFAOYSA-NSynonyms
1005591-10-51005591105
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=NN(C=C4)CN5C(=C(C(=N5)C)(N+)(=O)(O))C)C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccn(n1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC19H17N9O4Sc1913172116(2426(17)72018(13)3315(9)19(29)324)125625(2312)82711(3)14(28(30)31)10(2)2227h57H8H214H3
METHYL2(1((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)1HPYRAZOL3YL)9METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04134803
ZINC000002804151
ZINC02804151
ZINC2804151
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