Vitas-M small molecule compound

6-amino-3-[4-(benzyloxy)phenyl]-4-(5-methylthiophen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK568403
SMILES N#CC1=C(N)Oc2c(C1c1ccc(s1)C)c([nH]n2)c1ccc(cc1)OCc1ccccc1

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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 C25H20N4O2S MW 440.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O2S/c1-15-7-12-20(32-15)21-19(13-26)24(27)31-25-22(21)23(28-29-25)17-8-10-18(11-9-17)30-14-16-5-3-2-4-6-16/h2-12,21H,14,27H2,1H3,(H,28,29)
InChIKey
OTJKIPUCGDNJMN-UHFFFAOYSA-N
Synonyms
862209-01-6
6amino3(4(benzyloxy)phenyl)4(5methylthiophen2yl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino3(4(benzyloxy)phenyl)4(5methylthiophen2yl)24dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(5METHYLTHIOPHEN2YL)3(4PHENYLMETHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
862209016
CC1=CC=C(S1)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)OCC5=CC=CC=C5)N)C#N
InChI=1SC25H20N4O2Sc11571220(3215)2119(1326)24(27)312522(21)23(282925)1781018(11917)3014165324616h21221H1427H21H3(H2829)
MFCD05731635
N#CC1=C(N)Oc2c(C1c1ccc(s1)C)c((nH)n2)c1ccc(cc1)OCc1ccccc1
N#CC1=C(N)Oc2c(C1c1ccc(s1)C)c(n(nH)2)c1ccc(cc1)OCc1ccccc1
ZINC000009292103
ZINC000009292104

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Available files

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