Vitas-M small molecule compound

(5Z)-1-(4-ethylphenyl)-5-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK191804
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2cccc(c2)C)/C1=O

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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 C29H25N3O2S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O2S/c1-3-20-11-13-23(14-12-20)32-28(34)25(27(33)30-29(32)35)16-22-18-31(26-10-5-4-9-24(22)26)17-21-8-6-7-19(2)15-21/h4-16,18H,3,17H2,1-2H3,(H,30,33,35)/b25-16-
InChIKey
IWMXFGLZUUADSO-XYGWBWBKSA-N
Synonyms

(5Z)1(4ETHYLPHENYL)5((1((3METHYLPHENYL)METHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4ETHYLPHENYL)5((1(3METHYLBENZYL)1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(E)1(4ethylphenyl)5((1(3methylbenzyl)1Hindol3yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC(=C5)C)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)Cc2cccc(c2)C)C1=O
InChI=1SC29H25N3O2Sc1320111323(141220)3228(34)25(27(33)3029(32)35)16221831(261054924(22)26)172186719(2)1521h41618H317H212H3(H303335)b2516
MFCD02111954
ZINC000009311778
ZINC09311778
ZINC9311778

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Available files

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