Vitas-M small molecule compound
propan-2-yl 6-methyl-2-{[(pentafluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK426814
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1c(F)c(F)c(c(c1F)F)F
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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 C20H18F5NO3S MW 447.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F5NO3S/c1-7(2)29-20(28)11-9-5-4-8(3)6-10(9)30-19(11)26-18(27)12-13(21)15(23)17(25)16(24)14(12)22/h7-8H,4-6H2,1-3H3,(H,26,27)InChIKey
MLISFKPMSWVNEE-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F
InChI=1SC20H18F5NO3Sc17(2)2920(28)119548(3)610(9)3019(11)2618(27)1213(21)15(23)17(25)16(24)14(12)22h78H46H213H3(H2627)
MFCD01356879
propan2yl6methyl2(((pentafluorophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl6methyl2((23456pentafluorobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002742157
ZINC000002742158
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