Vitas-M small molecule compound

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

Catalog ID
STK192974
SMILES CCCCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccc(cc2)F)/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 C30H26FN3O2S MW 511.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26FN3O2S/c1-2-3-6-20-11-15-24(16-12-20)34-29(36)26(28(35)32-30(34)37)17-22-19-33(27-8-5-4-7-25(22)27)18-21-9-13-23(31)14-10-21/h4-5,7-17,19H,2-3,6,18H2,1H3,(H,32,35,37)/b26-17+
InChIKey
ZTFWCVBXPODCQB-YZSQISJMSA-N
Synonyms

(5E)1(4BUTYLPHENYL)5((1((4FLUOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4BUTYLPHENYL)5((1(4FLUOROBENZYL)1HINDOL3YL)METHYLIDENE)2SULFANYLPYRIMIDINE46(1H5H)DIONE
(5E)1(4BUTYLPHENYL)5((1(4FLUOROBENZYL)1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(E)1(4butylphenyl)5((1(4fluorobenzyl)1Hindol3yl)methylene)2thioxodihydropyrimidine46(1H5H)dione
1(4BUTYLPHENYL)5((1(4FLUOROBENZYL)1HINDOL3YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C(=O)NC2=S
CCCCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)F)C1=O
InChI=1SC30H26FN3O2Sc123620111524(161220)3429(36)26(28(35)3230(34)37)17221933(27854725(22)27)182191323(31)141021h4571719H23618H21H3(H323537)b2617+
MFCD02047368
ZINC8743333

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Available files

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