Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK595930
SMILES CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)S
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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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-2-35-24-13-11-23(12-14-24)32-28(34)25(27(33)30-29(32)36)18-21-10-15-26-22(17-21)9-6-16-31(26)19-20-7-4-3-5-8-20/h3-5,7-8,10-15,17-18H,2,6,9,16,19H2,1H3,(H,30,33,36)/b25-18+InChIKey
DVVUYEHSNXFVQL-XIEYBQDHSA-NSynonyms
841207-81-6(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(4ethoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
841207816
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)S
InChI=1SC29H27N3O3Sc123524131123(121424)3228(34)25(27(33)3029(32)36)182110152622(1721)961631(26)19207435820h357810151718H2691619H21H3(H303336)b2518+
MFCD07209446
ZINC000009015632
ZINC9015632
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