Vitas-M small molecule compound
propan-2-yl (2Z)-2-[3-methoxy-4-(pentyloxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798397
SMILES CCCCCOc1ccc(cc1OC)/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 C31H36N2O6S MW 564.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O6S/c1-7-8-9-16-38-24-15-10-21(17-25(24)37-6)18-26-29(34)33-28(22-11-13-23(36-5)14-12-22)27(30(35)39-19(2)3)20(4)32-31(33)40-26/h10-15,17-19,28H,7-9,16H2,1-6H3/b26-18-InChIKey
GEGUHCAGVIQCRN-ITYLOYPMSA-NSynonyms
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)OC)OC
CCCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C
InChI=1SC31H36N2O6Sc1789163824151021(1725(24)376)182629(34)3328(22111323(365)141222)27(30(35)3919(2)3)20(4)3231(33)4026h1015171928H7916H216H3b2618
MFCD03461960
PROPAN2YL(2Z)2((3METHOXY4PENTOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)2(3methoxy4(pentyloxy)benzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000097946165
ZINC000097946166
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