Vitas-M small molecule compound

(2Z)-6-benzyl-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK810845
SMILES O=c1/c(=C/c2cn(nc2c2cccc(c2)[N+](=O)[O-])c2ccccc2)/sc2n1nc(Cc1ccccc1)c(=O)n2

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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 C28H18N6O4S MW 534.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N6O4S/c35-26-23(14-18-8-3-1-4-9-18)30-33-27(36)24(39-28(33)29-26)16-20-17-32(21-11-5-2-6-12-21)31-25(20)19-10-7-13-22(15-19)34(37)38/h1-13,15-17H,14H2/b24-16-
InChIKey
OFQQFWTUEUSDHS-JLPGSUDCSA-N
Synonyms
313273-07-3
(2Z)6benzyl2((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)6BENZYL2((3(3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)6benzyl2((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylene)2Hthiazolo(32b)(124)triazine37dione
313273073
C1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=CC=C6)SC3=NC2=O
InChI=1SC28H18N6O4Sc352623(14188314918)303327(36)24(3928(33)2926)16201732(21115261221)3125(20)191071322(1519)34(37)38h1131517H14H2b2416
MFCD01954830
O=c1c(=Cc2cn(nc2c2cccc(c2)(N+)(=O)(O))c2ccccc2)sc2n1nc(Cc1ccccc1)c(=O)n2
ZINC000002287318
ZINC2287318

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Available files

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