Vitas-M small molecule compound

phenyl (2E)-2-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK028246
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C

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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 C41H40N2O6S MW 688.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N2O6S/c1-6-46-34-25-28(17-22-33(34)48-24-23-47-31-20-18-30(19-21-31)41(3,4)5)26-35-38(44)43-37(29-13-9-7-10-14-29)36(27(2)42-40(43)50-35)39(45)49-32-15-11-8-12-16-32/h7-22,25-26,37H,6,23-24H2,1-5H3/b35-26+
InChIKey
NDAGWUFPUNUFQZ-MDAYZVFASA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC4=CC=CC=C4)C5=CC=CC=C5)OCCOC6=CC=C(C=C6)C(C)(C)C
CCOc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C
InChI=1SC41H40N2O6Sc1646342528(172233(34)4824234731201830(192131)41(34)5)263538(44)4337(291397101429)36(27(2)4240(43)5035)39(45)493215118121632h722252637H62324H215H3b3526+
MFCD03183846
PHENYL(2E)2((4(2(4TERTBUTYLPHENOXY)ETHOXY)3ETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PHENYL(2E)2(4(2(4TERTBUTYLPHENOXY)ETHOXY)3ETHOXYBENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK028246
ZINC000097958119
ZINC000097958120

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Available files

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