Vitas-M small molecule compound
propan-2-yl (2Z)-2-[4-(benzyloxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798401
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)OCc1ccccc1)/s2)C(=O)OC(C)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 C32H30N2O5S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O5S/c1-20(2)39-31(36)28-21(3)33-32-34(29(28)24-12-16-25(37-4)17-13-24)30(35)27(40-32)18-22-10-14-26(15-11-22)38-19-23-8-6-5-7-9-23/h5-18,20,29H,19H2,1-4H3/b27-18-InChIKey
CLCVNJXVYHFIDG-IMRQLAEWSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)OCc1ccccc1)s2)C(=O)OC(C)C
InChI=1SC32H30N2O5Sc120(2)3931(36)2821(3)333234(29(28)24121625(374)171324)30(35)27(4032)1822101426(151122)3819238657923h5182029H19H214H3b2718
MFCD03461963
propan2yl(2Z)2(4(benzyloxy)benzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((4PHENYLMETHOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000002665980
ZINC000002665982
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