Vitas-M small molecule compound
(2Z)-2-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK797059
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)C)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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-4-5-13-35-22-12-11-19(14-17(22)2)24-20(16-31(30-24)21-9-7-6-8-10-21)15-23-26(34)32-27(36-23)28-25(33)18(3)29-32/h6-12,14-16H,4-5,13H2,1-3H3/b23-15-InChIKey
OEVHCSGCGVFAJJ-HAHDFKILSA-NSynonyms
(2Z)2((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)6methyl7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6METHYL(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)2((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)6methyl2Hthiazolo(32b)(124)triazine37dione
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)C)S3)C5=CC=CC=C5)C
CCCCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)C)c1ccccc1
InChI=1SC27H25N5O3Sc145133522121119(1417(22)2)2420(1631(3024)2197681021)152326(34)3227(3623)2825(33)18(3)2932h6121416H4513H213H3b2315
MFCD02993818
ZINC000013809773
ZINC13809773
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