Vitas-M small molecule compound
(2Z)-2-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK816000
SMILES COc1cc(ccc1OC)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)c1ccccc1)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 C29H21N5O4S MW 535.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O4S/c1-37-22-14-13-19(15-23(22)38-2)25-20(17-33(31-25)21-11-7-4-8-12-21)16-24-28(36)34-29(39-24)30-27(35)26(32-34)18-9-5-3-6-10-18/h3-17H,1-2H3/b24-16-InChIKey
NFNITCSKIUTWFS-JLPGSUDCSA-NSynonyms
(2Z)2((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6phenyl7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6PHENYL(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)C6=CC=CC=C6)OC
COc1cc(ccc1OC)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)c1ccccc1)c1ccccc1
InChI=1SC29H21N5O4Sc13722141319(1523(22)382)2520(1733(3125)21117481221)162428(36)3429(3924)3027(35)26(3234)1895361018h317H12H3b2416
MFCD03534295
ZINC000098046293
ZINC98046293
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