Vitas-M small molecule compound
5-(diethylammonio)-2-[(E)-(2-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Catalog ID
STL048542
SMILES CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)CC
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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 C29H31N5O3S2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S2/c1-3-33(4-2)21-15-14-19(23(35)16-21)17-30-32-25(36)18-38-29-31-27-26(22-12-8-9-13-24(22)39-27)28(37)34(29)20-10-6-5-7-11-20/h5-7,10-11,14-17,35H,3-4,8-9,12-13,18H2,1-2H3,(H,32,36)/b30-17+InChIKey
YBEBSZRIRRKPLY-OCSSWDANSA-NSynonyms
5(diethylammonio)2((E)(2(((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
5(diethylazaniumyl)2((E)((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
CC(NH+)(c1ccc(c(c1)(O))C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)CC
CC(NH+)(CC)C1=CC(=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5)(O)
InChI=1SC29H31N5O3S2c1333(42)21151419(23(35)1621)17303225(36)183829312726(2212891324(22)3927)28(37)34(29)20106571120h571011141735H3489121318H212H3(H3236)b3017+
MFCD03222342
ZINC000001899726
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