Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(4-tert-butylbenzylidene)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK045775
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)C(C)(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 C28H24ClN3OS2 MW 518.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3OS2/c1-28(2,3)19-10-8-18(9-11-19)16-22-24(17-34-21-14-12-20(29)13-15-21)31-32(26(22)33)27-30-23-6-4-5-7-25(23)35-27/h4-16H,17H2,1-3H3/b22-16-InChIKey
CNUYIMFKDWEZDY-JWGURIENSA-NSynonyms
(4Z)2(13benzothiazol2yl)4((4tertbutylphenyl)methylidene)5((4chlorophenyl)sulfanylmethyl)pyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(4TERTBUTYLBENZYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
CC(C)(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1ccc(cc1)C(C)(C)C)c1nc2c(s1)cccc2
InChI=1SC28H24ClN3OS2c128(23)1910818(91119)162224(173421141220(29)131521)3132(26(22)33)273023645725(23)3527h416H17H213H3b2216
MFCD08050871
STK045775
ZINC000013942965
ZINC13942965
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