Vitas-M small molecule compound

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

Catalog ID
STK799978
SMILES CC1Oc2c(C1)cc(cc2)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1)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 C29H21N5O2S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O2S/c1-18-14-21-15-20(12-13-24(21)36-18)26-22(17-33(31-26)23-10-6-3-7-11-23)16-25-28(35)34-29(37-25)30-27(32-34)19-8-4-2-5-9-19/h2-13,15-18H,14H2,1H3/b25-16-
InChIKey
SJEQVCRFAOUCAI-XYGWBWBKSA-N
Synonyms

(5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)2phenyl(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)methylidene)2phenyl(13)thiazolo(32b)(124)triazol6one
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C6=CC=CC=C6)S4)C7=CC=CC=C7
CC1Oc2c(C1)cc(cc2)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1)c1ccccc1
InChI=1SC29H21N5O2Sc11814211520(121324(21)3618)2622(1733(3126)23106371123)162528(35)3429(3725)3027(3234)198425919h2131518H14H21H3b2516
MFCD03534774
ZINC000016735321
ZINC000016735324

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Available files

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