Vitas-M small molecule compound

(5E)-5-{[1-(3,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1-phenyl-3-propyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK198261
SMILES CCCN1C(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccc(c(c2)Cl)Cl)/C(=O)N(C1=S)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 C29H23Cl2N3O2S MW 548.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23Cl2N3O2S/c1-2-14-33-27(35)23(28(36)34(29(33)37)21-8-4-3-5-9-21)16-20-18-32(26-11-7-6-10-22(20)26)17-19-12-13-24(30)25(31)15-19/h3-13,15-16,18H,2,14,17H2,1H3/b23-16+
InChIKey
LBJPVNNCNGABIC-XQNSMLJCSA-N
Synonyms

(5E)5((1((34dichlorophenyl)methyl)indol3yl)methylidene)1phenyl3propyl2sulfanylidene13diazinane46dione
(5E)5((1(34DICHLOROBENZYL)1HINDOL3YL)METHYLIDENE)1PHENYL3PROPYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C1=S)C5=CC=CC=C5
CCCN1C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccc(c(c2)Cl)Cl)C(=O)N(C1=S)c1ccccc1
InChI=1SC29H23Cl2N3O2Sc12143327(35)23(28(36)34(29(33)37)218435921)16201832(2611761022(20)26)1719121324(30)25(31)1519h313151618H21417H21H3b2316+
MFCD04479189
ZINC000097960909
ZINC97960909

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Available files

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