Vitas-M small molecule compound
2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Catalog ID
STK124107
SMILES COc1cccc(c1)c1nc(SC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC)[nH]c(=O)c1C#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 C25H23N5O3S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S2/c1-3-19(23(32)29-24-17(12-26)16-9-4-5-10-20(16)34-24)35-25-28-21(18(13-27)22(31)30-25)14-7-6-8-15(11-14)33-2/h6-8,11,19H,3-5,9-10H2,1-2H3,(H,29,32)(H,28,30,31)InChIKey
MPEKJXXABYNDGH-UHFFFAOYSA-NSynonyms
519143-69-22((5cyano4(3methoxyphenyl)6oxo16dihydropyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
2((5cyano6(3methoxyphenyl)4oxo1Hpyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
519143692
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=O)C(=C(N3)C4=CC(=CC=C4)OC)C#N
COc1cccc(c1)c1nc(SC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC)(nH)c(=O)c1C#N
InChI=1SC25H23N5O3S2c1319(23(32)292417(1226)169451020(16)3424)35252821(18(1327)22(31)3025)1476815(1114)332h681119H35910H212H3(H2932)(H283031)
MFCD02056457
ZINC000002757919
ZINC000002757920
Check stock
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