Vitas-M small molecule compound
6-amino-4-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL379783
SMILES C#CCOc1ccc(cc1C1C(=C(N)Oc2c1c(C)n[nH]2)C#N)Br
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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 C17H13BrN4O2 MW 385.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN4O2/c1-3-6-23-13-5-4-10(18)7-11(13)15-12(8-19)16(20)24-17-14(15)9(2)21-22-17/h1,4-5,7,15H,6,20H2,2H3,(H,21,22)InChIKey
XWKYWGPOLXGTIZ-UHFFFAOYSA-NSynonyms
6amino4(5bromo2(prop2yn1yloxy)phenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(5BROMO2PROP2YNOXYPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(5BROMO2PROP2YNYLOXYPHENYL)3METHYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE
C#CCOc1ccc(cc1C1C(=C(N)Oc2c1c(C)n(nH)2)C#N)Br
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)Br)OCC#C
InChI=1SC17H13BrN4O2c13623135410(18)711(13)1512(819)16(20)241714(15)9(2)212217h145715H620H22H3(H2122)
MFCD05816056
ZINC000004454199
ZINC000004454200
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