Vitas-M small molecule compound

ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-{4-[2,2,2-trichloro-1-(propanoylamino)ethoxy]benzylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK529844
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(cc1)OC(C(Cl)(Cl)Cl)NC(=O)CC)/s2

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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 C28H26Cl3N3O5S MW 622.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl3N3O5S/c1-4-21(35)33-26(28(29,30)31)39-19-13-11-17(12-14-19)15-20-24(36)34-23(18-9-7-6-8-10-18)22(25(37)38-5-2)16(3)32-27(34)40-20/h6-15,23,26H,4-5H2,1-3H3,(H,33,35)/b20-15+
InChIKey
XWNALBLGKNLUKN-HMMYKYKNSA-N
Synonyms

(E)ethyl7methyl3oxo5phenyl2(4(222trichloro1propionamidoethoxy)benzylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)OC(C(Cl)(Cl)Cl)NC(=O)CC)s2
ETHYL(2E)7METHYL3OXO5PHENYL2((4(222TRICHLORO1(PROPANOYLAMINO)ETHOXY)PHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)7methyl3oxo5phenyl2(4(222trichloro1(propanoylamino)ethoxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H26Cl3N3O5Sc1421(35)3326(28(2930)31)3919131117(121419)152024(36)3423(1897681018)22(25(37)3852)16(3)3227(34)4020h6152326H45H213H3(H3335)b2015+
MFCD01071992
ZINC000097966357
ZINC000097966360

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Available files

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