Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-benzylidene-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793757
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1ccccc1)/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 C26H22N2O5S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S/c1-4-14-32-25(31)22-16(2)27-26-28(23(22)19-10-12-20(13-11-19)33-17(3)29)24(30)21(34-26)15-18-8-6-5-7-9-18/h4-13,15,23H,1,14H2,2-3H3/b21-15-InChIKey
SALYVXQKGWHUHR-QNGOZBTKSA-NSynonyms
(Z)allyl5(4acetoxyphenyl)2benzylidene7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
4(7METHYL3OXO2(PHENYLMETHYLENE)6(PROP2ENYLOXYCARBONYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccccc1)s2
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)OC(=O)C)C(=O)OCC=C
InChI=1SC26H22N2O5Sc14143225(31)2216(2)272628(23(22)19101220(131119)3317(3)29)24(30)21(3426)15188657918h4131523H114H223H3b2115
MFCD02990449
prop2en1yl(2Z)5(4(acetyloxy)phenyl)2benzylidene7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4ACETYLOXYPHENYL)2BENZYLIDENE7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000001831016
ZINC000001831018
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