Vitas-M small molecule compound
propan-2-yl (2Z)-7-methyl-2-[4-(3-methylbutoxy)benzylidene]-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798194
SMILES CC(CCOc1ccc(cc1)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)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 C27H30N2O4S2 MW 510.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S2/c1-16(2)12-13-32-20-10-8-19(9-11-20)15-22-25(30)29-24(21-7-6-14-34-21)23(26(31)33-17(3)4)18(5)28-27(29)35-22/h6-11,14-17,24H,12-13H2,1-5H3/b22-15-InChIKey
XEJHTBCBUQXFGT-JCMHNJIXSA-NSynonyms
CC(CCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)C)C)C
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCCC(C)C)SC2=N1)C4=CC=CS4)C(=O)OC(C)C
InChI=1SC27H30N2O4S2c116(2)1213322010819(91120)152225(30)2924(2176143421)23(26(31)3317(3)4)18(5)2827(29)3522h611141724H1213H215H3b2215
MFCD03461899
PROPAN2YL(2Z)7METHYL2((4(3METHYLBUTOXY)PHENYL)METHYLIDENE)3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)7methyl2(4(3methylbutoxy)benzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000002665748
ZINC000002665750
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