Vitas-M small molecule compound
propan-2-yl (2Z)-2-(4-butoxy-3-methoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798193
SMILES CCCCOc1ccc(cc1OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)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 C27H30N2O5S2 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5S2/c1-6-7-12-33-19-11-10-18(14-20(19)32-5)15-22-25(30)29-24(21-9-8-13-35-21)23(26(31)34-16(2)3)17(4)28-27(29)36-22/h8-11,13-16,24H,6-7,12H2,1-5H3/b22-15-InChIKey
VCTPYLCZRNIQRQ-JCMHNJIXSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=CS4)OC
CCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)C)C
InChI=1SC27H30N2O5S2c167123319111018(1420(19)325)152225(30)2924(2198133521)23(26(31)3416(2)3)17(4)2827(29)3622h811131624H6712H215H3b2215
MFCD03461898
PROPAN2YL(2Z)2((4BUTOXY3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)2(4butoxy3methoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016700191
ZINC000016700194
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