Vitas-M small molecule compound
4,4'-[(6-chloro-1,3-benzodioxol-5-yl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK508896
SMILES Clc1cc2OCOc2cc1C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)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 C30H27ClN4O4 MW 543.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4O4/c1-18-26(29(36)34(32(18)3)20-11-7-5-8-12-20)28(22-15-24-25(16-23(22)31)39-17-38-24)27-19(2)33(4)35(30(27)37)21-13-9-6-10-14-21/h5-16,28H,17H2,1-4H3InChIKey
BIRUMFIDQFMRNS-UHFFFAOYSA-NSynonyms
4((6CHLORO13BENZODIOXOL5YL)(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)METHYL)15DIMETHYL2PHENYLPYRAZOL3ONE
44((6chloro13benzodioxol5yl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3Cl)OCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C
InChI=1SC30H27ClN4O4c11826(29(36)34(32(18)3)20117581220)28(22152425(1623(22)31)39173824)2719(2)33(4)35(30(27)37)211396101421h51628H17H214H3
MFCD00732158
ZINC000004020781
ZINC4020781
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