Vitas-M small molecule compound
(5Z)-5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK704119
SMILES S=C1S/C(=C\c2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)/C(=O)N1CC1CCCO1
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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 C26H23N3O4S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S2/c30-25-23(35-26(34)28(25)16-20-7-4-10-31-20)14-18-15-29(19-5-2-1-3-6-19)27-24(18)17-8-9-21-22(13-17)33-12-11-32-21/h1-3,5-6,8-9,13-15,20H,4,7,10-12,16H2/b23-14-InChIKey
DBURMMRZGFHUQA-UCQKPKSFSA-NSynonyms
(5Z)5((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CC(OC1)CN2C(=O)C(=CC3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)SC2=S
InChI=1SC26H23N3O4S2c302523(3526(34)28(25)162074103120)14181529(195213619)2724(18)17892122(1317)3312113221h135689131520H47101216H2b2314
MFCD04446385
S=C1SC(=Cc2cn(nc2c2ccc3c(c2)OCCO3)c2ccccc2)C(=O)N1CC1CCCO1
ZINC000001099072
ZINC000001099073
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