Vitas-M small molecule compound
(2Z)-2-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK823927
SMILES CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)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 C31H25N5O3S MW 547.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O3S/c1-3-39-25-15-13-22(14-16-25)28-23(19-35(34-28)24-7-5-4-6-8-24)18-27-30(38)36-31(40-27)32-29(37)26(33-36)17-21-11-9-20(2)10-12-21/h4-16,18-19H,3,17H2,1-2H3/b27-18-InChIKey
ZCPXEYKZOQEXOV-IMRQLAEWSA-NSynonyms
(2Z)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6(4methylbenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6((4METHYLPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)C)S3)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C)c1ccccc1
InChI=1SC31H25N5O3Sc133925151322(141625)2823(1935(3428)247546824)182730(38)3631(4027)3229(37)26(3336)172111920(2)101221h4161819H317H212H3b2718
MFCD03535596
ZINC000097947224
ZINC97947224
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