Vitas-M small molecule compound
(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816690
SMILES COc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2)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 C30H21N5O3S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21N5O3S/c1-18-23-10-6-7-11-24(23)38-27(18)28-31-30-35(33-28)29(36)25(39-30)16-20-17-34(21-8-4-3-5-9-21)32-26(20)19-12-14-22(37-2)15-13-19/h3-17H,1-2H3/b25-16-InChIKey
VFXWKWMZCYYTIO-XYGWBWBKSA-NSynonyms
(5Z)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(3METHYL1BENZOFURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CN(N=C5C6=CC=C(C=C6)OC)C7=CC=CC=C7)SC4=N3
COc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2)c1ccccc1
InChI=1SC30H21N5O3Sc1182310671124(23)3827(18)28313035(3328)29(36)25(3930)16201734(218435921)3226(20)19121422(372)151319h317H12H3b2516
MFCD03534387
ZINC000033354003
ZINC33354003
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