Vitas-M small molecule compound
2-[(5Z)-6-oxo-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Catalog ID
STK702874
SMILES CC(Oc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)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 C31H25N5O4S MW 563.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O4S/c1-19(2)39-24-15-13-21(14-16-24)28-22(18-35(33-28)23-9-5-4-6-10-23)17-27-30(38)36-31(41-27)32-29(34-36)25-11-7-8-12-26(25)40-20(3)37/h4-19H,1-3H3/b27-17-InChIKey
SFSMDRWMGUUXEO-PKAZHMFMSA-NSynonyms
(2((5Z)6OXO5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)6oxo5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5OC(=O)C)S3)C6=CC=CC=C6
CC(Oc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)c1ccccc1)C
InChI=1SC31H25N5O4Sc119(2)3924151321(141624)2822(1835(3328)2395461023)172730(38)3631(4127)3229(3436)2511781226(25)4020(3)37h419H13H3b2717
MFCD02985077
ZINC000097999417
ZINC97999417
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