Vitas-M small molecule compound
(5Z)-2-[(E)-2-phenylethenyl]-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904852
SMILES CC(Oc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1)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 C31H25N5O2S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O2S/c1-21(2)38-26-16-14-23(15-17-26)29-24(20-35(34-29)25-11-7-4-8-12-25)19-27-30(37)36-31(39-27)32-28(33-36)18-13-22-9-5-3-6-10-22/h3-21H,1-2H3/b18-13+,27-19-InChIKey
HMWCKSWNMUNAAF-BTNCGWLBSA-NSynonyms
(5Z)2((E)2phenylethenyl)5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2((E)2phenylethenyl)5((1phenyl3(4propan2yloxyphenyl)pyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6one
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=CC=C5)S3)C6=CC=CC=C6
CC(Oc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1)c1ccccc1)C
InChI=1SC31H25N5O2Sc121(2)3826161423(151726)2924(2035(3429)25117481225)192730(37)3631(3927)3228(3336)18132295361022h321H12H3b1813+2719
MFCD07481053
ZINC000097947347
ZINC97947347
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