Vitas-M small molecule compound

(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK800627
SMILES COc1cc(ccc1OC)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccco1)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 C26H19N5O4S MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O4S/c1-33-19-11-10-16(13-21(19)34-2)23-17(15-30(28-23)18-7-4-3-5-8-18)14-22-25(32)31-26(36-22)27-24(29-31)20-9-6-12-35-20/h3-15H,1-2H3/b22-14-
InChIKey
NZUNCLYSSICSMZ-HMAPJEAMSA-N
Synonyms

(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(furan2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(FURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CO5)S3)C6=CC=CC=C6)OC
COc1cc(ccc1OC)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccco1)c1ccccc1
InChI=1SC26H19N5O4Sc13319111016(1321(19)342)2317(1530(2823)187435818)142225(32)3126(3622)2724(2931)2096123520h315H12H3b2214
MFCD04447148
ZINC000016735808
ZINC16735808

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Available files

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