Vitas-M small molecule compound
ethyl 9-methyl-2-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL399318
SMILES CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)C(n1nc(c(c1)[N+](=O)[O-])C)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 C17H17N7O4S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O4S/c1-5-28-17(25)13-8(2)12-15-19-14(21-23(15)7-18-16(12)29-13)10(4)22-6-11(24(26)27)9(3)20-22/h6-7,10H,5H2,1-4H3InChIKey
JAGRVBDTAIQAJQ-UHFFFAOYSA-NSynonyms
1005590-35-11005590351
CCOC(=O)C1=C(C2=C(S1)N=CN3C2=NC(=N3)C(C)N4C=C(C(=N4)C)(N+)(=O)(O))C
CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)C(n1nc(c(c1)(N+)(=O)(O))C)C
ETHYL9METHYL2(1(3METHYL4NITRO1HPYRAZOL1YL)ETHYL)THIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
InChI=1SC17H17N7O4Sc152817(25)138(2)12151914(2123(15)71816(12)2913)10(4)22611(24(26)27)9(3)2022h6710H5H214H3
MFCD04051342
ZINC000002791031
ZINC000002791032
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