Vitas-M small molecule compound
(5Z)-2-(4-tert-butylphenyl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK821339
SMILES COc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C)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 C31H26N6O4S MW 578.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N6O4S/c1-31(2,3)22-13-10-19(11-14-22)28-32-30-36(34-28)29(38)26(42-30)17-21-18-35(23-8-6-5-7-9-23)33-27(21)20-12-15-25(41-4)24(16-20)37(39)40/h5-18H,1-4H3/b26-17-InChIKey
VRFCZMBYBZTJOT-ONUIUJJFSA-NSynonyms
(5Z)2(4tertbutylphenyl)5((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4TERTBUTYLPHENYL)5((3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
2(4(TERTBUTYL)PHENYL)5((3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)13THIAZOLIDINO(32D)124TRIAZOL6ONE
CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC)(N+)(=O)(O))C6=CC=CC=C6)SC3=N2
COc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C)c1ccccc1
InChI=1SC31H26N6O4Sc131(23)22131019(111422)28323036(3428)29(38)26(4230)17211835(238657923)3327(21)20121525(414)24(1620)37(39)40h518H14H3b2617
MFCD03462710
ZINC000100847551
ZINC100847551
Check stock
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Check stock on Vitas-MAvailable files
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