Vitas-M small molecule compound
(5Z)-1-(3-ethoxyphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187970
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/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 C27H26N4O5S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S/c1-2-36-20-7-5-6-19(15-20)31-26(34)22(25(33)28-27(31)37)14-18-16-30(23-9-4-3-8-21(18)23)17-24(32)29-10-12-35-13-11-29/h3-9,14-16H,2,10-13,17H2,1H3,(H,28,33,37)/b22-14-InChIKey
KCXPKYVSLBXVMH-HMAPJEAMSA-NSynonyms
(5Z)1(3ETHOXYPHENYL)5((1(2(MORPHOLIN4YL)2OXOETHYL)1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(3ETHOXYPHENYL)5((1(2MORPHOLIN4YL2OXOETHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
1(3ETHOXYPHENYL)5((1(2MORPHOLIN4YL2OXOETHYL)INDOL3YL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)N5CCOCC5)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)CC(=O)N2CCOCC2)C1=O
InChI=1SC27H26N4O5Sc12362075619(1520)3126(34)22(25(33)2827(31)37)14181630(23943821(18)23)1724(32)29101235131129h391416H2101317H21H3(H283337)b2214
MFCD02602873
ZINC000008843326
ZINC08843326
ZINC8843326
Check stock
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Check stock on Vitas-MAvailable files
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