Vitas-M small molecule compound
prop-2-en-1-yl (2E)-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
STK797910
SMILES CCCCCOc1ccc(cc1OC)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=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 C31H34N2O6S MW 562.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6S/c1-6-8-9-17-38-24-15-10-21(18-25(24)37-5)19-26-29(34)33-28(22-11-13-23(36-4)14-12-22)27(30(35)39-16-7-2)20(3)32-31(33)40-26/h7,10-15,18-19,28H,2,6,8-9,16-17H2,1,3-5H3/b26-19+InChIKey
KZBGOCROPHYEMX-LGUFXXKBSA-NSynonyms
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC=C)C4=CC=C(C=C4)OC)OC
CCCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC=C)C
InChI=1SC31H34N2O6Sc1689173824151021(1825(24)375)192629(34)3328(22111323(364)141222)27(30(35)391672)20(3)3231(33)4026h71015181928H26891617H2135H3b2619+
MFCD03417282
prop2en1yl(2E)2(3methoxy4(pentyloxy)benzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2E)2((3METHOXY4PENTOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000100838031
ZINC000100838032
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