Vitas-M small molecule compound
propan-2-yl 6-methyl-2-{[(3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK427644
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-11(2)27-20(24)17-15-8-7-12(3)9-16(15)28-19(17)21-18(23)13-5-4-6-14(10-13)22(25)26/h4-6,10-12H,7-9H2,1-3H3,(H,21,23)InChIKey
KPHKBUVETNFIHG-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H22N2O5Sc111(2)2720(24)17158712(3)916(15)2819(17)2118(23)1354614(1013)22(25)26h461012H79H213H3(H2123)
MFCD01244282
propan2yl6methyl2(((3nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl6methyl2((3nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000687067
ZINC000000687068
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