Vitas-M small molecule compound
3-phenylpropyl 5-({[2-(diphenylacetyl)hydrazinyl]carbonothioyl}amino)-5-oxopentanoate
Catalog ID
STL065290
SMILES O=C(CCCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)OCCCc1ccccc1
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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 C29H31N3O4S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c33-25(19-10-20-26(34)36-21-11-14-22-12-4-1-5-13-22)30-29(37)32-31-28(35)27(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,27H,10-11,14,19-21H2,(H,31,35)(H2,30,32,33,37)InChIKey
XXPSTHAACRJUOB-UHFFFAOYSA-NSynonyms
3phenylpropyl5(((2(diphenylacetyl)hydrazinyl)carbonothioyl)amino)5oxopentanoate
3PHENYLPROPYL5(((22DIPHENYLACETYL)AMINO)CARBAMOTHIOYLAMINO)5OXOPENTANOATE
C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI=1SC29H31N3O4Sc3325(19102026(34)3621111422124151322)3029(37)323128(35)27(23156271623)24178391824h191213151827H1011141921H2(H3135)(H230323337)
MFCD07083779
ZINC000012137601
ZINC12137601
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