Vitas-M small molecule compound

ethyl 2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

Catalog ID
STL400678
SMILES CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)C(n1nc(c(c1C)[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 C18H19N7O4S MW 429.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O4S/c1-6-29-18(26)14-8(2)12-16-20-15(22-23(16)7-19-17(12)30-14)11(5)24-10(4)13(25(27)28)9(3)21-24/h7,11H,6H2,1-5H3
InChIKey
CKKCCWNTECEYOB-UHFFFAOYSA-N
Synonyms
1005699-70-6
1005699706
CCOC(=O)C1=C(C2=C(S1)N=CN3C2=NC(=N3)C(C)N4C(=C(C(=N4)C)(N+)(=O)(O))C)C
CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)C(n1nc(c(c1C)(N+)(=O)(O))C)C
ethyl2(1(35dimethyl4nitro1Hpyrazol1yl)ethyl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
InChI=1SC18H19N7O4Sc162918(26)148(2)12162015(2223(16)71917(12)3014)11(5)2410(4)13(25(27)28)9(3)2124h711H6H215H3
MFCD04129886
ZINC000002790323
ZINC000002790324

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Available files

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