Vitas-M small molecule compound
methyl (2E)-2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL175972
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(c(c1)COc1ccccc1C)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 C31H28N2O5S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O5S/c1-19-10-8-9-13-24(19)38-18-23-16-21(14-15-25(23)36-3)17-26-29(34)33-28(22-11-6-5-7-12-22)27(30(35)37-4)20(2)32-31(33)39-26/h5-17,28H,18H2,1-4H3/b26-17+InChIKey
HVKZORNFYNNDML-YZSQISJMSA-NSynonyms
512814-57-2512814572
CC1=CC=CC=C1OCC2=C(C=CC(=C2)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CC=C5)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)COc1ccccc1C)OC)s2
InChI=1SC31H28N2O5Sc11910891324(19)3818231621(141525(23)363)172629(34)3328(22116571222)27(30(35)374)20(2)3231(33)3926h51728H18H214H3b2617+
METHYL(2E)2((4METHOXY3((2METHYLPHENOXY)METHYL)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)2(4methoxy3((2methylphenoxy)methyl)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(4METHOXY3((2METHYLPHENOXY)METHYL)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03466921
ZINC000002760534
ZINC000002760536
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