Vitas-M small molecule compound
ethyl (2Z)-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL505688
SMILES C=CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(n(c1C)C)C)/s2)C(=O)OCC
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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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-7-13-34-21-11-9-19(10-12-21)24-23(26(32)33-8-2)17(4)28-27-30(24)25(31)22(35-27)15-20-14-16(3)29(6)18(20)5/h7,9-12,14-15,24H,1,8,13H2,2-6H3/b22-15-InChIKey
DDIVDCWSCBRTTD-JCMHNJIXSA-NSynonyms
6296116
ethyl(2~(Z))7methyl3oxo5(4prop2enoxyphenyl)2((125trimethylpyrrol3yl)methylidene)5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)7methyl3oxo5(4(prop2en1yloxy)phenyl)2((125trimethyl1Hpyrrol3yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL3OXO5(4PROP2ENOXYPHENYL)2((125TRIMETHYLPYRROL3YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H29N3O4Sc1713342111919(101221)2423(26(32)3382)17(4)282730(24)25(31)22(3527)15201416(3)29(6)18(20)5h7912141524H1813H226H3b2215
MFCD04083954
ZINC000016682336
ZINC000016682337
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