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-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904671
SMILES CC1Oc2c(C1)cc(cc2)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)/C=C/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 C31H23N5O2S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N5O2S/c1-20-16-23-17-22(13-14-26(23)38-20)29-24(19-35(34-29)25-10-6-3-7-11-25)18-27-30(37)36-31(39-27)32-28(33-36)15-12-21-8-4-2-5-9-21/h2-15,17-20H,16H2,1H3/b15-12+,27-18-InChIKey
LZNZWYKAEFMOQX-SAMYGSEPSA-NSynonyms
(5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenyl1Hpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(2methyl23dihydro1benzofuran5yl)1phenylpyrazol4yl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C=CC6=CC=CC=C6)S4)C7=CC=CC=C7
CC1Oc2c(C1)cc(cc2)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1)c1ccccc1
InChI=1SC31H23N5O2Sc12016231722(131426(23)3820)2924(1935(3429)25106371125)182730(37)3631(3927)3228(3336)1512218425921h2151720H16H21H3b1512+2718
MFCD07480809
ZINC000097947335
ZINC000097947336
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