Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(3-phenoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK702918
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cccc(c1)Oc1ccccc1)/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 C31H26N2O5S MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5S/c1-4-17-37-30(35)27-20(2)32-31-33(28(27)22-13-15-23(36-3)16-14-22)29(34)26(39-31)19-21-9-8-12-25(18-21)38-24-10-6-5-7-11-24/h4-16,18-19,28H,1,17H2,2-3H3/b26-19-InChIKey
KFYFLUBJOOLORO-XHPQRKPJSA-NSynonyms
(E)allyl5(4methoxyphenyl)7methyl3oxo2(3phenoxybenzylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cccc(c1)Oc1ccccc1)s2
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OCC=C
InChI=1SC31H26N2O5Sc14173730(35)2720(2)323133(28(27)22131523(363)161422)29(34)26(3931)1921981225(1821)3824106571124h416181928H117H223H3b2619
MFCD03461757
prop2en1yl(2Z)5(4methoxyphenyl)7methyl3oxo2(3phenoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((3PHENOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000001807718
ZINC000001807723
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