Vitas-M small molecule compound
(2Z)-6-(4-chlorobenzyl)-2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK800148
SMILES Cc1ccc(c(c1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)Cl)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 C30H22ClN5O2S MW 552.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22ClN5O2S/c1-18-8-9-19(2)24(14-18)27-21(17-35(34-27)23-6-4-3-5-7-23)16-26-29(38)36-30(39-26)32-28(37)25(33-36)15-20-10-12-22(31)13-11-20/h3-14,16-17H,15H2,1-2H3/b26-16-InChIKey
LIFGSMJOMXHDIL-QQXSKIMKSA-NSynonyms
(2Z)6((4chlorophenyl)methyl)2((3(25dimethylphenyl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazine37dione
(2Z)6(4chlorobenzyl)2((3(25dimethylphenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
CC1=CC(=C(C=C1)C)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)Cl)S3)C6=CC=CC=C6
Cc1ccc(c(c1)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)Cl)c1ccccc1)C
InChI=1SC30H22ClN5O2Sc1188919(2)24(1418)2721(1735(3427)236435723)162629(38)3630(3926)3228(37)25(3336)1520101222(31)131120h3141617H15H212H3b2616
MFCD06642854
ZINC000097946842
ZINC97946842
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