Vitas-M small molecule compound
(2Z)-6-acetyl-2-(1,3-benzodioxol-5-ylmethylidene)-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Catalog ID
STK710347
SMILES COc1ccc(c(c1)OC)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc3c(c1)OCO3)/s2)C(=O)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 C25H22N2O6S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6S/c1-13-22(14(2)28)23(17-7-6-16(30-3)11-19(17)31-4)27-24(29)21(34-25(27)26-13)10-15-5-8-18-20(9-15)33-12-32-18/h5-11,23H,12H2,1-4H3/b21-10-InChIKey
MVIVSSRJEHMYDN-FBHDLOMBSA-NSynonyms
(2Z)6acetyl2(13benzodioxol5ylmethylidene)5(24dimethoxyphenyl)7methyl5H(13)thiazolo(32a)pyrimidin3(2H)one
(2Z)6ACETYL2(13BENZODIOXOL5YLMETHYLIDENE)5(24DIMETHOXYPHENYL)7METHYL5H(13)THIAZOLO(32A)PYRIMIDIN3ONE
CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=N1)C5=C(C=C(C=C5)OC)OC)C(=O)C
COc1ccc(c(c1)OC)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc3c(c1)OCO3)s2)C(=O)C
InChI=1SC25H22N2O6Sc11322(14(2)28)23(177616(303)1119(17)314)2724(29)21(3425(27)2613)1015581820(915)33123218h51123H12H214H3b2110
MFCD02109520
ZINC000001062942
ZINC000001062947
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