Vitas-M small molecule compound

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

Catalog ID
STK800096
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1cc(C)ccc1C)c1ccccc1)/s2

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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 C32H29N5O2S MW 547.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O2S/c1-4-5-17-39-26-15-13-23(14-16-26)30-33-32-37(35-30)31(38)28(40-32)19-24-20-36(25-9-7-6-8-10-25)34-29(24)27-18-21(2)11-12-22(27)3/h6-16,18-20H,4-5,17H2,1-3H3/b28-19-
InChIKey
LXUPKXZWSSKYMG-USHMODERSA-N
Synonyms

(5Z)2(4butoxyphenyl)5((3(25dimethylphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(25DIMETHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=C(C=CC(=C5)C)C)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1cc(C)ccc1C)c1ccccc1)s2
InChI=1SC32H29N5O2Sc145173926151323(141626)30333237(3530)31(38)28(4032)19242036(2597681025)3429(24)271821(2)111222(27)3h6161820H4517H213H3b2819
MFCD03534514
ZINC000097946839
ZINC97946839

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Available files

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