Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL446658
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/Nc1ccc(cc1)C)\C)c1nc2c(s1)cccc2

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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 C27H24N4OS2 MW 484.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4OS2/c1-17-8-12-20(13-9-17)28-19(3)25-23(16-33-21-14-10-18(2)11-15-21)30-31(26(25)32)27-29-22-6-4-5-7-24(22)34-27/h4-15,28H,16H2,1-3H3/b25-19+
InChIKey
TWYVGPGRGLSGCL-NCELDCMTSA-N
Synonyms

(4E)2(13benzothiazol2yl)4(1((4methylphenyl)amino)ethylidene)5(((4methylphenyl)sulfanyl)methyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1(4METHYLANILINO)ETHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)PYRAZOL3ONE
CC1=CC=C(C=C1)NC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)C)C
Cc1ccc(cc1)SCC1=NN(C(=O)C1=C(Nc1ccc(cc1)C)C)c1nc2c(s1)cccc2
InChI=1SC27H24N4OS2c11781220(13917)2819(3)2523(163321141018(2)111521)3031(26(25)32)272922645724(22)3427h41528H16H213H3b2519+
MFCD06240663
ZINC000008695553
ZINC8695553

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Available files

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