Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(2-phenoxyphenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK054616
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(\Nc1ccccc1Oc1ccccc1)/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 C31H23ClN4O2S2 MW 583.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23ClN4O2S2/c1-20(33-24-11-5-7-13-27(24)38-22-9-3-2-4-10-22)29-26(19-39-23-17-15-21(32)16-18-23)35-36(30(29)37)31-34-25-12-6-8-14-28(25)40-31/h2-18,33H,19H2,1H3/b29-20-InChIKey
PSXGWGUTDFUJFO-BRPDVVIDSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1((2PHENOXYPHENYL)AMINO)ETHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4(1(2PHENOXYANILINO)ETHYLIDENE)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NC5=CC=CC=C5OC6=CC=CC=C6
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(Nc1ccccc1Oc1ccccc1)C)c1nc2c(s1)cccc2
InChI=1SC31H23ClN4O2S2c120(332411571327(24)382293241022)2926(193923171521(32)161823)3536(30(29)37)31342512681428(25)4031h21833H19H21H3b2920
MFCD06240666
STK054616
ZINC000008695543
ZINC8695543
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