Vitas-M small molecule compound
5-amino-7-(6-bromo-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carbonitrile 1,1-dioxide
Catalog ID
STK781568
SMILES N#CC1=C(N)N(c2ccc(cc2)OC)C2=C(C1c1cc3OCOc3cc1Br)S(=O)(=O)CC2
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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 C22H18BrN3O5S MW 516.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O5S/c1-29-13-4-2-12(3-5-13)26-17-6-7-32(27,28)21(17)20(15(10-24)22(26)25)14-8-18-19(9-16(14)23)31-11-30-18/h2-5,8-9,20H,6-7,11,25H2,1H3InChIKey
PUOCGWZHFIFESL-UHFFFAOYSA-NSynonyms
5AMINO7(6BROMO13BENZODIOXOL5YL)4(4METHOXYPHENYL)11DIOXO37DIHYDRO2HTHIENO(32B)PYRIDINE6CARBONITRILE
5amino7(6bromo13benzodioxol5yl)4(4methoxyphenyl)2347tetrahydrothieno(32b)pyridine6carbonitrile11dioxide
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4Br)OCO5)S(=O)(=O)CC3
InChI=1SC22H18BrN3O5Sc129134212(3513)26176732(2728)21(17)20(15(1024)22(26)25)1481819(916(14)23)31113018h258920H671125H21H3
MFCD06015307
ZINC000012420849
ZINC000012420851
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