Vitas-M small molecule compound
tert-butyl [1-{(2E)-2-[(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]hydrazinyl}-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate (non-preferred name)
Catalog ID
STL233973
SMILES CSCCC(C(=O)N/N=C/c1coc2c(c1=O)cc(cc2)C)NC(=O)OC(C)(C)C
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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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-13-6-7-17-15(10-13)18(25)14(12-28-17)11-22-24-19(26)16(8-9-30-5)23-20(27)29-21(2,3)4/h6-7,10-12,16H,8-9H2,1-5H3,(H,23,27)(H,24,26)/b22-11+InChIKey
BYYQVACYEATFQJ-SSDVNMTOSA-NSynonyms
(SE)tertbutyl(1(2((6methyl4oxo4Hchromen3yl)methylene)hydrazinyl)4(methylthio)1oxobutan2yl)carbamate
CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C(CCSC)NC(=O)OC(C)(C)C
CSCC(C@@H)(C(=O)NN=Cc1coc2c(c1=O)cc(cc2)C)NC(=O)OC(C)(C)C
CSCCC(C(=O)NN=Cc1coc2c(c1=O)cc(cc2)C)NC(=O)OC(C)(C)C
InChI=1SC21H27N3O5Sc113671715(1013)18(25)14(122817)11222419(26)16(89305)2320(27)2921(23)4h67101216H89H215H3(H2327)(H2426)b2211+
MFCD24858410
tertbutyl(1((2E)2((6methyl4oxo4Hchromen3yl)methylidene)hydrazinyl)4(methylsulfanyl)1oxobutan2yl)carbamate(nonpreferredname)
tertbutylN(1((2E)2((6methyl4oxochromen3yl)methylidene)hydrazinyl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000002442732
ZINC000015999219
Check stock
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Check stock on Vitas-MAvailable files
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