Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK533886
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccc(c(c1)OCC)OC(=O)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 C30H30N2O8S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O8S/c1-7-13-39-29(35)26-17(3)31-30-32(27(26)20-10-12-21(36-5)23(16-20)37-6)28(34)25(41-30)15-19-9-11-22(40-18(4)33)24(14-19)38-8-2/h7,9-12,14-16,27H,1,8,13H2,2-6H3/b25-15-InChIKey
QDUIICIYGACXBF-MYYYXRDXSA-NSynonyms
(Z)allyl2(4acetoxy3ethoxybenzylidene)5(34dimethoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc(c(c1)OCC)OC(=O)C)s2
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC=C)C4=CC(=C(C=C4)OC)OC)OC(=O)C
InChI=1SC30H30N2O8Sc17133929(35)2617(3)313032(27(26)20101221(365)23(1620)376)28(34)25(4130)151991122(4018(4)33)24(1419)3882h7912141627H1813H226H3b2515
MFCD01951060
prop2en1yl(2Z)2(4(acetyloxy)3ethoxybenzylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)2((4ACETYLOXY3ETHOXYPHENYL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097966456
ZINC000097966457
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