Vitas-M small molecule compound
ethyl 2-{[({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL177850
SMILES CCOC(=O)c1c(NC(=O)CSc2nccc(n2)c2ccc(cc2)OC(F)F)sc2c1CCC(C2)C
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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 C25H25F2N3O4S2 MW 533.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25F2N3O4S2/c1-3-33-23(32)21-17-9-4-14(2)12-19(17)36-22(21)30-20(31)13-35-25-28-11-10-18(29-25)15-5-7-16(8-6-15)34-24(26)27/h5-8,10-11,14,24H,3-4,9,12-13H2,1-2H3,(H,30,31)InChIKey
AHARZZPXMCVSQB-UHFFFAOYSA-NSynonyms
828285-94-5828285945
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)OC(F)F
ethyl2((((4(4(difluoromethoxy)phenyl)pyrimidin2yl)sulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4(4(difluoromethoxy)phenyl)pyrimidin2yl)sulfanylacetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H25F2N3O4S2c133323(32)21179414(2)1219(17)3622(21)3020(31)13352528111018(2925)155716(8615)3424(26)27h5810111424H3491213H212H3(H3031)
MFCD04130311
ZINC000002792169
ZINC000002792170
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