Vitas-M small molecule compound
6-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK094195
SMILES N#CC1=C(N)Oc2c(C1c1cc3OCOc3cc1Cl)c(n[nH]2)c1ccccc1
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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 C20H13ClN4O3 MW 392.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN4O3/c21-13-7-15-14(26-9-27-15)6-11(13)16-12(8-22)19(23)28-20-17(16)18(24-25-20)10-4-2-1-3-5-10/h1-7,16H,9,23H2,(H,24,25)InChIKey
JCVNPVOUVCFQQQ-UHFFFAOYSA-NSynonyms
6AMINO4(6CHLORO13BENZODIOXOL5YL)3PHENYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(6CHLORO13BENZODIOXOL5YL)3PHENYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(6CHLORO2H13BENZODIOXOL5YL)3PHENYL1H4HPYRANO(23C)PYRAZOLE5CARBONITRILE
C1OC2=C(O1)C=C(C(=C2)C3C(=C(OC4=NNC(=C34)C5=CC=CC=C5)N)C#N)Cl
InChI=1SC20H13ClN4O3c211371514(2692715)611(13)1612(822)19(23)282017(16)18(242520)104213510h1716H923H2(H2425)
MFCD02943497
N#CC1=C(N)Oc2c(C1c1cc3OCOc3cc1Cl)c(n(nH)2)c1ccccc1
STK094195
ZINC000000706763
ZINC000000706764
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