Vitas-M small molecule compound

(2Z)-6-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK797751
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)C)c1ccccc1)C

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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/c1-17(2)13-14-35-22-11-9-19(10-12-22)24-20(16-31(30-24)21-7-5-4-6-8-21)15-23-26(34)32-27(36-23)28-25(33)18(3)29-32/h4-12,15-17H,13-14H2,1-3H3/b23-15-
InChIKey
WSCDLXMWURICGE-HAHDFKILSA-N
Synonyms

(2Z)6methyl2((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)6METHYL2((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)2((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)6methyl2Hthiazolo(32b)(124)triazine37dione
CC(CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)C)c1ccccc1)C
CC1=NN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCCC(C)C)C5=CC=CC=C5)SC2=NC1=O
InChI=1SC27H25N5O3Sc117(2)1314352211919(101222)2420(1631(3024)217546821)152326(34)3227(3623)2825(33)18(3)2932h4121517H1314H213H3b2315
MFCD02994500
ZINC000002302124
ZINC02302124
ZINC2302124

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Available files

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