Vitas-M small molecule compound
methyl (2Z)-2-[3-(acetyloxy)benzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793773
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1cccc(c1)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 C26H24N2O7S MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O7S/c1-14-22(25(31)34-5)23(17-9-10-19(32-3)20(13-17)33-4)28-24(30)21(36-26(28)27-14)12-16-7-6-8-18(11-16)35-15(2)29/h6-13,23H,1-5H3/b21-12-InChIKey
WHMLGJCAGLJBGY-MTJSOVHGSA-NSynonyms
(Z)methyl2(3acetoxybenzylidene)5(34dimethoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
3((5(34DIMETHOXYPHENYL)6(METHOXYCARBONYL)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN2YLIDENE)METHYL)PHENYLACETATE
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC(=O)C)SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1cccc(c1)OC(=O)C)s2
InChI=1SC26H24N2O7Sc11422(25(31)345)23(1791019(323)20(1317)334)2824(30)21(3626(28)2714)121676818(1116)3515(2)29h61323H15H3b2112
METHYL(2Z)2((3ACETYLOXYPHENYL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(3(acetyloxy)benzylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02991750
ZINC000001245668
ZINC000001245670
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