Vitas-M small molecule compound

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

Catalog ID
STK813037
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OC)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 C32H29N5O3S MW 563.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O3S/c1-4-5-17-40-26-15-16-27(21(2)18-26)29-23(20-36(34-29)24-9-7-6-8-10-24)19-28-31(38)37-32(41-28)33-30(35-37)22-11-13-25(39-3)14-12-22/h6-16,18-20H,4-5,17H2,1-3H3/b28-19-
InChIKey
WZPAAVPAOFGLMS-USHMODERSA-N
Synonyms
623935-19-3
(5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4methoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4METHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
5((3(4BUTOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2(4METHOXYPHENYL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
623935193
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OC)c1ccccc1
InChI=1SC32H29N5O3Sc145174026151627(21(2)1826)2923(2036(3429)2497681024)192831(38)3732(4128)3330(3537)22111325(393)141222h6161820H4517H213H3b2819
MFCD03534757
ZINC000002508968
ZINC2508968

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Available files

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