Vitas-M small molecule compound
[(7E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzodioxol-5-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-chloro-1-ethyl-1H-pyrazol-3-yl)methanone
Catalog ID
STK301989
SMILES CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc3c(c1)OCO3)CCC/C/2=C\c1ccc2c(c1)OCO2)Cl
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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 C28H25ClN4O5 MW 532.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O5/c1-2-32-13-20(29)26(30-32)28(34)33-27(18-7-9-22-24(12-18)38-15-36-22)19-5-3-4-17(25(19)31-33)10-16-6-8-21-23(11-16)37-14-35-21/h6-13,19,27H,2-5,14-15H2,1H3/b17-10+InChIKey
UOAJTHZBFUMWCX-LICLKQGHSA-NSynonyms
512812-76-9((7E)3(13benzodioxol5yl)7(13benzodioxol5ylmethylidene)33a4567hexahydro2Hindazol2yl)(4chloro1ethyl1Hpyrazol3yl)methanone
((7E)3(13BENZODIOXOL5YL)7(13BENZODIOXOL5YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4CHLORO1ETHYLPYRAZOL3YL)METHANONE
512812769
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=N2)C6=CC7=C(C=C6)OCO7)Cl
CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc3c(c1)OCO3)CCCC2=Cc1ccc2c(c1)OCO2)Cl
InChI=1SC28H25ClN4O5c12321320(29)26(3032)28(34)3327(18792224(1218)38153622)1953417(25(19)3133)1016682123(1116)37143521h6131927H251415H21H3b1710+
MFCD03466660
ZINC000008454921
ZINC000008454924
Check stock
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Check stock on Vitas-MAvailable files
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