Vitas-M small molecule compound
(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK799812
SMILES COc1cc(cc(c1OC)OC)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccccc1)c1ccccc1)/c2=O
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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 C29H23N5O4S MW 537.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O4S/c1-36-22-14-19(15-23(37-2)26(22)38-3)27-30-29-34(32-27)28(35)24(39-29)16-20-17-33(21-12-8-5-9-13-21)31-25(20)18-10-6-4-7-11-18/h4-17H,1-3H3/b24-16-InChIKey
CGSBOYQKOQPEDN-JLPGSUDCSA-NSynonyms
(5Z)5((13diphenyl1Hpyrazol4yl)methylidene)2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((13DIPHENYLPYRAZOL4YL)METHYLIDENE)2(345TRIMETHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)SC3=N2
COc1cc(cc(c1OC)OC)c1nn2c(n1)sc(=Cc1cn(nc1c1ccccc1)c1ccccc1)c2=O
InChI=1SC29H23N5O4Sc136221419(1523(372)26(22)383)27302934(3227)28(35)24(3929)16201733(21128591321)3125(20)18106471118h417H13H3b2416
MFCD04446968
ZINC000003637385
ZINC3637385
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