Vitas-M small molecule compound
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800725
SMILES COc1cc(ccc1OC)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC)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 C29H23N5O4S MW 537.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O4S/c1-36-22-12-8-7-11-21(22)27-30-29-34(32-27)28(35)25(39-29)16-19-17-33(20-9-5-4-6-10-20)31-26(19)18-13-14-23(37-2)24(15-18)38-3/h4-17H,1-3H3/b25-16-InChIKey
AOLRQDXROBBIKN-XYGWBWBKSA-NSynonyms
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(2methoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(2METHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5OC)S3)C6=CC=CC=C6)OC
COc1cc(ccc1OC)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1OC)c1ccccc1
InChI=1SC29H23N5O4Sc1362212871121(22)27302934(3227)28(35)25(3929)16191733(2095461020)3126(19)18131423(372)24(1518)383h417H13H3b2516
MFCD04447173
ZINC000003637369
ZINC3637369
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