Vitas-M small molecule compound
methyl (2Z)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL174232
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(c(c1)COc1c(Cl)cc(cc1Cl)Cl)OC)/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 C30H23Cl3N2O5S MW 629.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Cl3N2O5S/c1-16-25(29(37)39-3)26(18-7-5-4-6-8-18)35-28(36)24(41-30(35)34-16)12-17-9-10-23(38-2)19(11-17)15-40-27-21(32)13-20(31)14-22(27)33/h4-14,26H,15H2,1-3H3/b24-12-InChIKey
DAUMNMXDCIVZEE-MSXFZWOLSA-NSynonyms
445239-45-2445239452
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4Cl)Cl)Cl)SC2=N1)C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)COc1c(Cl)cc(cc1Cl)Cl)OC)s2
InChI=1SC30H23Cl3N2O5Sc11625(29(37)393)26(187546818)3528(36)24(4130(35)3416)121791023(382)19(1117)15402721(32)1320(31)1422(27)33h41426H15H213H3b2412
METHYL(2Z)2((4METHOXY3((246TRICHLOROPHENOXY)METHYL)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4methoxy3((246trichlorophenoxy)methyl)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(4METHOXY3((246TRICHLOROPHENOXY)METHYL)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02374309
ZINC000008454597
ZINC000008454598
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