Vitas-M small molecule compound

(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK703919
SMILES Clc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)c1ccccc1

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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 C27H18ClN3O3S2 MW 532.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O3S2/c28-20-9-7-18(8-10-20)25-19(15-31(29-25)21-4-2-1-3-5-21)13-24-26(32)30(27(35)36-24)14-17-6-11-22-23(12-17)34-16-33-22/h1-13,15H,14,16H2/b24-13-
InChIKey
HWRVHSFWXVPRGI-CFRMEGHHSA-N
Synonyms
955896-68-1
(5Z)3(13benzodioxol5ylmethyl)5((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(13BENZODIOXOL5YLMETHYL)5((3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
955896681
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)Cl)C6=CC=CC=C6)SC3=S
Clc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)c1ccccc1
InChI=1SC27H18ClN3O3S2c28209718(81020)2519(1531(2925)214213521)132426(32)30(27(35)3624)14176112223(1217)34163322h11315H1416H2b2413
MFCD03213152
ZINC000100895994
ZINC100895994

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Available files

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