Vitas-M small molecule compound
6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL041096
SMILES CCOc1ccc(cc1OC)c1[nH]nc2c1C(c1ccc(cc1)SC)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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-4-29-17-10-7-14(11-18(17)28-2)21-20-19(13-5-8-15(31-3)9-6-13)16(12-24)22(25)30-23(20)27-26-21/h5-11,19H,4,25H2,1-3H3,(H,26,27)InChIKey
RXZAEDZTAKWEBA-UHFFFAOYSA-NSynonyms
849913-36-66amino3(4ethoxy3methoxyphenyl)4(4(methylsulfanyl)phenyl)24dihydropyrano(23c)pyrazole5carbonitrile
6amino3(4ethoxy3methoxyphenyl)4(4(methylthio)phenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(4ETHOXY3METHOXYPHENYL)4(4METHYLSULFANYLPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
849913366
CCOC1=C(C=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)SC)OC
CCOc1ccc(cc1OC)c1(nH)nc2c1C(c1ccc(cc1)SC)C(=C(O2)N)C#N
CCOc1ccc(cc1OC)c1n(nH)c2c1C(c1ccc(cc1)SC)C(=C(O2)N)C#N
InChI=1SC23H22N4O3Sc14291710714(1118(17)282)212019(135815(313)9613)16(1224)22(25)3023(20)272621h51119H425H213H3(H2627)
MFCD05736644
ZINC000009308605
ZINC000009308606
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