Vitas-M small molecule compound
methyl 4-{[(Z)-[(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)sulfanyl](methylimino)methyl]amino}benzoate
Catalog ID
STK762879
SMILES C/N=C(\SC1CC(=O)N(C1=O)c1ccc(cc1)OC(Cl)(F)F)/Nc1ccc(cc1)C(=O)OC
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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 C21H18ClF2N3O5S MW 497.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClF2N3O5S/c1-25-20(26-13-5-3-12(4-6-13)19(30)31-2)33-16-11-17(28)27(18(16)29)14-7-9-15(10-8-14)32-21(22,23)24/h3-10,16H,11H2,1-2H3,(H,25,26)InChIKey
HQHWGWKLVYZPLZ-UHFFFAOYSA-NSynonyms
CN=C(NC1=CC=C(C=C1)C(=O)OC)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC(F)(F)Cl
CN=C(SC1CC(=O)N(C1=O)c1ccc(cc1)OC(Cl)(F)F)Nc1ccc(cc1)C(=O)OC
InChI=1SC21H18ClF2N3O5Sc12520(26135312(4613)19(30)312)33161117(28)27(18(16)29)147915(10814)3221(2223)24h31016H11H212H3(H2526)
methyl4(((Z)((1(4(chloro(difluoro)methoxy)phenyl)25dioxopyrrolidin3yl)sulfanyl)(methylimino)methyl)amino)benzoate
METHYL4((C(1(4(CHLORO(DIFLUORO)METHOXY)PHENYL)25DIOXOPYRROLIDIN3YL)SULFANYLNMETHYLCARBONIMIDOYL)AMINO)BENZOATE
MFCD02110689
ZINC000012362807
ZINC000100092283
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