Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(3,4,5-trimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK090273
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2nc3c(s2)cccc3)CSc2ccc(cc2)Cl)cc(c1OC)OC
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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 C27H22ClN3O4S2 MW 552.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4S2/c1-33-22-13-16(14-23(34-2)25(22)35-3)12-19-21(15-36-18-10-8-17(28)9-11-18)30-31(26(19)32)27-29-20-6-4-5-7-24(20)37-27/h4-14H,15H2,1-3H3/b19-12-InChIKey
LFZWCIQNCNJGQX-UNOMPAQXSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(345TRIMETHOXYBENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((345trimethoxyphenyl)methylidene)pyrazol3one
COC1=CC(=CC(=C1OC)OC)C=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl
COc1cc(C=C2C(=NN(C2=O)c2nc3c(s2)cccc3)CSc2ccc(cc2)Cl)cc(c1OC)OC
InChI=1SC27H22ClN3O4S2c133221316(1423(342)25(22)353)121921(15361810817(28)91118)3031(26(19)32)272920645724(20)3727h414H15H213H3b1912
MFCD08679370
STK090273
ZINC000097959193
ZINC97959193
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