Vitas-M small molecule compound
methyl (2E)-2-(4-tert-butylbenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL353157
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(cc1)C(C)(C)C)/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 C26H26N2O3S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3S/c1-16-21(24(30)31-5)22(18-9-7-6-8-10-18)28-23(29)20(32-25(28)27-16)15-17-11-13-19(14-12-17)26(2,3)4/h6-15,22H,1-5H3/b20-15+InChIKey
FQKKRMLEYKXHRJ-HMMYKYKNSA-NSynonyms
(Z)methyl2(4(tertbutyl)benzylidene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)SC2=N1)C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2
InChI=1SC26H26N2O3Sc11621(24(30)315)22(1897681018)2823(29)20(3225(28)2716)1517111319(141217)26(23)4h61522H15H3b2015+
METHYL(2E)2((4TERTBUTYLPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)2(4tertbutylbenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2((4(TERTBUTYL)PHENYL)METHYLENE)7METHYL3OXO5PHENYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
METHYL2(4TERTBUTYLBENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01162888
ZINC000006237793
ZINC000008425825
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