Vitas-M small molecule compound
6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK570112
SMILES COc1cccc(c1)c1[nH]nc2c1C(c1cc(Br)c(c(c1)OC)O)C(=C(O2)N)C#N
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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 C21H17BrN4O4 MW 469.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O4/c1-28-12-5-3-4-10(6-12)18-17-16(11-7-14(22)19(27)15(8-11)29-2)13(9-23)20(24)30-21(17)26-25-18/h3-8,16,27H,24H2,1-2H3,(H,25,26)InChIKey
GFIUKVKERJJBJH-UHFFFAOYSA-NSynonyms
846062-03-16amino4(3bromo4hydroxy5methoxyphenyl)3(3methoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino4(3bromo4hydroxy5methoxyphenyl)3(3methoxyphenyl)24dihydropyrano(23c)pyrazole5carbonitrile
846062031
COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C(=C4)Br)O)OC
COc1cccc(c1)c1(nH)nc2c1C(c1cc(Br)c(c(c1)OC)O)C(=C(O2)N)C#N
COc1cccc(c1)c1n(nH)c2c1C(c1cc(Br)c(c(c1)OC)O)C(=C(O2)N)C#N
InChI=1SC21H17BrN4O4c1281253410(612)181716(11714(22)19(27)15(811)292)13(923)20(24)3021(17)262518h381627H24H212H3(H2526)
MFCD05734437
ZINC000009282358
ZINC000009282359
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