Vitas-M small molecule compound
(5E)-5-{[1-(4-ethoxyphenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187887
SMILES CCOc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C35H27N3O3S MW 569.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27N3O3S/c1-2-41-29-20-18-28(19-21-29)37-31(24-12-6-3-7-13-24)23-26(32(37)25-14-8-4-9-15-25)22-30-33(39)36-35(42)38(34(30)40)27-16-10-5-11-17-27/h3-23H,2H2,1H3,(H,36,39,42)/b30-22+InChIKey
FRENWKYTJSVDPU-JBASAIQMSA-NSynonyms
(5E)5((1(4ETHOXYPHENYL)25DIPHENYL1HPYRROL3YL)METHYLIDENE)1PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4ethoxyphenyl)25diphenylpyrrol3yl)methylidene)1phenyl2sulfanylidene13diazinane46dione
CCOC1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6
CCOc1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
InChI=1SC35H27N3O3Sc124129201828(192129)3731(24126371324)2326(32(37)25148491525)223033(39)3635(42)38(34(30)40)2716105111727h323H2H21H3(H363942)b3022+
MFCD02379534
ZINC000097960879
ZINC97960879
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