Vitas-M small molecule compound
propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[4-(pentyloxy)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797762
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)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 C30H34N2O5S MW 534.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O5S/c1-6-7-8-17-36-24-13-9-21(10-14-24)18-25-28(33)32-27(22-11-15-23(35-5)16-12-22)26(29(34)37-19(2)3)20(4)31-30(32)38-25/h9-16,18-19,27H,6-8,17H2,1-5H3/b25-18+InChIKey
UHTSWLYKIFEVEV-XIEYBQDHSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)OC
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C
InChI=1SC30H34N2O5Sc167817362413921(101424)182528(33)3227(22111523(355)161222)26(29(34)3719(2)3)20(4)3130(32)3825h916181927H6817H215H3b2518+
MFCD03417132
PROPAN2YL(2E)5(4METHOXYPHENYL)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2E)5(4methoxyphenyl)7methyl3oxo2(4(pentyloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000100837865
ZINC000100837867
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