Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-[4-(diethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793758
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1ccc(cc1)N(CC)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 C30H31N3O5S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O5S/c1-6-17-37-29(36)26-19(4)31-30-33(27(26)22-11-15-24(16-12-22)38-20(5)34)28(35)25(39-30)18-21-9-13-23(14-10-21)32(7-2)8-3/h6,9-16,18,27H,1,7-8,17H2,2-5H3/b25-18-InChIKey
HQYPRYXOHLTGSX-BWAHOGKJSA-NSynonyms
(Z)allyl5(4acetoxyphenyl)2(4(diethylamino)benzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
4(2((4(DIETHYLAMINO)PHENYL)METHYLENE)7METHYL3OXO6(PROP2ENYLOXYCARBONYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(cc1)N(CC)CC)s2
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC=C)C4=CC=C(C=C4)OC(=O)C
InChI=1SC30H31N3O5Sc16173729(36)2619(4)313033(27(26)22111524(161222)3820(5)34)28(35)25(3930)182191323(141021)32(72)83h69161827H17817H225H3b2518
MFCD02991721
prop2en1yl(2Z)5(4(acetyloxy)phenyl)2(4(diethylamino)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4ACETYLOXYPHENYL)2((4(DIETHYLAMINO)PHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000100777290
ZINC000100777293
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