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Vitas-M small molecule compound

3',5'-dimethyl-1'-(prop-2-en-1-yl)-1H,1'H-3,4'-bipyrazole-5-carboxylic acid

Catalog ID
STK392461
SMILES C=CCn1nc(c(c1C)c1n[nH]c(c1)C(=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 C12H14N4O2 MW 246.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O2/c1-4-5-16-8(3)11(7(2)15-16)9-6-10(12(17)18)14-13-9/h4,6H,1,5H2,2-3H3,(H,13,14)(H,17,18)
InChIKey
JJNHKUIWSKUXCK-UHFFFAOYSA-N
Synonyms
890625-09-9
1ALLYL35DIMETHYL1H1H(34)BIPYRAZOLYL5CARBOXYLICACID
1allyl35dimethyl1H1H(34bipyrazole)5carboxylicacid
1ALLYL35DIMETHYL1H1H34BIPYRAZOLE5CARBOXYLICACID
3(1ALLYL35DIMETHYL1HPYRAZOL4YL)1HPYRAZOLE5CARBOXYLICACID
3(35DIMETHYL1(PROP2EN1YL)1HPYRAZOL4YL)1HPYRAZOLE5CARBOXYLICACID
3(35DIMETHYL1PROP2ENYLPYRAZOL4YL)1HPYRAZOLE5CARBOXYLICACID
3(35DIMETHYL1PROP2ENYLPYRAZOL4YL)PYRAZOLE5CARBOXYLICACID
35dimethyl1(prop2en1yl)1H1H34bipyrazole5carboxylicacid
5(35DIMETHYL1(PROP2EN1YL)PYRAZOL4YL)2HPYRAZOLE3CARBOXYLICACID
890625099
C=CCn1nc(c(c1C)c1n(nH)c(c1)C(=O)O)C
CC1=C(C(=NN1CC=C)C)C2=NNC(=C2)C(=O)O
InChI=1SC12H14N4O2c145168(3)11(7(2)1516)9610(12(17)18)14139h46H15H223H3(H1314)(H1718)
MFCD07186545
ZINC000008741035
ZINC8741035

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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