Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904849
SMILES COc1ccc(cc1Br)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1)c1ccccc1
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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 C29H20BrN5O2S MW 582.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20BrN5O2S/c1-37-24-14-13-20(16-23(24)30)27-21(18-34(33-27)22-10-6-3-7-11-22)17-25-28(36)35-29(38-25)31-26(32-35)15-12-19-8-4-2-5-9-19/h2-18H,1H3/b15-12+,25-17-InChIKey
RLQHFSLSEMVJMS-RQAATEJQSA-NSynonyms
(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3bromo4methoxyphenyl)1phenylpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=CC=C5)S3)C6=CC=CC=C6)Br
COc1ccc(cc1Br)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1)c1ccccc1
InChI=1SC29H20BrN5O2Sc13724141320(1623(24)30)2721(1834(3327)22106371122)172528(36)3529(3825)3126(3235)1512198425919h218H1H3b1512+2517
MFCD07480790
ZINC000097947346
ZINC97947346
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