Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylic acid

Catalog ID
STK312566
SMILES OC(=O)c1n[nH]c(c1)c1ccc2c(c1)OCO2

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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 C11H8N2O4 MW 232.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N2O4/c14-11(15)8-4-7(12-13-8)6-1-2-9-10(3-6)17-5-16-9/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKey
LMXODXZANYFXPY-UHFFFAOYSA-N
Synonyms
890621-48-4
1HPYRAZOLE5CARBOXYLICACID3(13BENZODIOXOL5YL)
3(13BENZODIOXOL5YL)1HPYRAZOLE5CARBOXYLICACID
3(BENZO(D)(13)DIOXOL5YL)1HPYRAZOLE5CARBOXYLICACID
5(13benzodioxol5yl)1Hpyrazole3carboxylicacid
5(13BENZODIOXOL5YL)2HPYRAZOLE3CARBOXYLICACID
5(2H13BENZODIOXOL5YL)1HPYRAZOLE3CARBOXYLICACID
5(2H13BENZODIOXOL5YL)2HPYRAZOLE3CARBOXYLICACID
5(2HBENZO(D)13DIOXOLAN5YL)PYRAZOLE3CARBOXYLICACID
5(BENZO(D)(13)DIOXOL5YL)1HPYRAZOLE3CARBOXYLICACID
5BENZO(13)DIOXOL5YL1HPYRAZOLE3CARBOXYLICACID
5BENZO(13)DIOXOL5YL2HPYRAZOLE3CARBOXYLICACID
890621484
C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)O
InChI=1SC11H8N2O4c1411(15)847(12138)612910(36)175169h14H5H2(H1213)(H1415)
MFCD04969779
OC(=O)c1n(nH)c(c1)c1ccc2c(c1)OCO2
ZINC000004243857
ZINC4243857

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Available files

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