Vitas-M small molecule compound

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

Catalog ID
STL368181
SMILES S=C1NC(=O)/C(=C\c2cn(c3c2cccc3)CCOc2ccc(c(c2)C)Cl)/C(=O)N1c1ccccc1

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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 C28H22ClN3O3S MW 516.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O3S/c1-18-15-21(11-12-24(18)29)35-14-13-31-17-19(22-9-5-6-10-25(22)31)16-23-26(33)30-28(36)32(27(23)34)20-7-3-2-4-8-20/h2-12,15-17H,13-14H2,1H3,(H,30,33,36)/b23-16+
InChIKey
GZNOKQHNPOFMBT-XQNSMLJCSA-N
Synonyms

(5E)5((1(2(4chloro3methylphenoxy)ethyl)1Hindol3yl)methylidene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
(5E)5((1(2(4CHLORO3METHYLPHENOXY)ETHYL)INDOL3YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
5((1(2(4CHLORO3METHYLPHENOXY)ETHYL)1HINDOL3YL)METHYLENE)1PHENYL2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=C(C=CC(=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5)Cl
InChI=1SC28H22ClN3O3Sc1181521(111224(18)29)351413311719(229561025(22)31)162326(33)3028(36)32(27(23)34)207324820h2121517H1314H21H3(H303336)b2316+
MFCD03079311
S=C1NC(=O)C(=Cc2cn(c3c2cccc3)CCOc2ccc(c(c2)C)Cl)C(=O)N1c1ccccc1
ZINC000002126252
ZINC02126252
ZINC2126252

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Available files

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