Vitas-M small molecule compound

5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL006756
SMILES S=C1N(C(=O)/C(=C/NCCC2=CCCCC2)/C(=O)N1c1ccccc1C)c1ccccc1C

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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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c1-19-10-6-8-14-23(19)29-25(31)22(18-28-17-16-21-12-4-3-5-13-21)26(32)30(27(29)33)24-15-9-7-11-20(24)2/h6-12,14-15,18,28H,3-5,13,16-17H2,1-2H3
InChIKey
VUDHAMUOTUPTPK-UHFFFAOYSA-N
Synonyms

5(((2(cyclohex1en1yl)ethyl)amino)methylene)2thioxo13diotolyldihydropyrimidine46(1H5H)dione
5(((2(cyclohex1en1yl)ethyl)amino)methylidene)13bis(2methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
5((2(CYCLOHEXEN1YL)ETHYLAMINO)METHYLIDENE)13BIS(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC=CC=C1N2C(=O)C(=CNCCC3=CCCCC3)C(=O)N(C2=S)C4=CC=CC=C4C
InChI=1SC27H29N3O2Sc11910681423(19)2925(31)22(1828171621124351321)26(32)30(27(29)33)2415971120(24)2h61214151828H35131617H212H3
MFCD06607465
S=C1N(C(=O)C(=CNCCC2=CCCCC2)C(=O)N1c1ccccc1C)c1ccccc1C
ZINC000002333514
ZINC02333514
ZINC2333514

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Available files

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