Vitas-M small molecule compound

(2E)-6-acetyl-2-(1,3-benzodioxol-5-ylmethylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one

Catalog ID
STK758571
SMILES CC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C\c1ccc3c(c1)OCO3)/s2

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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 C25H23N3O4S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S/c1-14-22(15(2)29)23(17-6-8-18(9-7-17)27(3)4)28-24(30)21(33-25(28)26-14)12-16-5-10-19-20(11-16)32-13-31-19/h5-12,23H,13H2,1-4H3/b21-12+
InChIKey
YNSVEGFKKUBLIH-CIAFOILYSA-N
Synonyms

(2E)6ACETYL2(13BENZODIOXOL5YLMETHYLENE)5(4(DIMETHYLAMINO)PHENYL)7METHYL5H(13)THIAZOLO(32A)PYRIMIDIN3(2H)ONE
(2E)6acetyl2(13benzodioxol5ylmethylidene)5(4(dimethylamino)phenyl)7methyl5H(13)thiazolo(32a)pyrimidin3(2H)one
(2E)6acetyl2(13benzodioxol5ylmethylidene)5(4(dimethylamino)phenyl)7methyl5H(13)thiazolo(32a)pyrimidin3one
(2E)6ACETYL2(13BENZODIOXOL5YLMETHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL5H(13)THIAZOLO(32A)PYRIMIDIN3ONE
6ACETYL2(13BENZODIOXOL5YLMETHYLENE)5(4(DIMETHYLAMINO)PHENYL)7METHYL5H(13)THIAZOLO(32A)PYRIMIDIN3(2H)ONE
CC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=N1)C5=CC=C(C=C5)N(C)C)C(=O)C
InChI=1SC25H23N3O4Sc11422(15(2)29)23(176818(9717)27(3)4)2824(30)21(3325(28)2614)12165101920(1116)32133119h51223H13H214H3b2112+
MFCD01415000
ZINC000005067702
ZINC000008016413

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Available files

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