Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(1-{[2-(morpholin-4-yl)ethyl]amino}propylidene)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK049911
SMILES CC/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/NCCN1CCOCC1

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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 C26H28ClN5O2S2 MW 542.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5O2S2/c1-2-20(28-11-12-31-13-15-34-16-14-31)24-22(17-35-19-9-7-18(27)8-10-19)30-32(25(24)33)26-29-21-5-3-4-6-23(21)36-26/h3-10,28H,2,11-17H2,1H3/b24-20+
InChIKey
LLSCUVDJUFQAMQ-HIXSDJFHSA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(1((2(MORPHOLIN4YL)ETHYL)AMINO)PROPYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(1(2morpholin4ylethylamino)propylidene)pyrazol3one
CCC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)NCCN1CCOCC1
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)NCCN5CCOCC5
InChI=1SC26H28ClN5O2S2c1220(28111231131534161431)2422(1735199718(27)81019)3032(25(24)33)262921534623(21)3626h31028H21117H21H3b2420+
MFCD03033178
STK049911
ZINC000097958653
ZINC97958653

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Available files

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