Vitas-M small molecule compound
2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-{(E)-[4-(pentyloxy)phenyl]methylidene}acetohydrazide
Catalog ID
STL036385
SMILES CCCCCOc1ccc(cc1)/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3
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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 C30H32N4O3S2 MW 560.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3S2/c1-2-3-9-18-37-23-16-14-21(15-17-23)19-31-33-26(35)20-38-30-32-28-27(24-12-7-8-13-25(24)39-28)29(36)34(30)22-10-5-4-6-11-22/h4-6,10-11,14-17,19H,2-3,7-9,12-13,18,20H2,1H3,(H,33,35)/b31-19+InChIKey
HNTBYKLZNBDZBY-ZCTHSVRISA-NSynonyms
(E)2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4(pentyloxy)benzylidene)acetohydrazide
2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N((E)(4(pentyloxy)phenyl)methylidene)acetohydrazide
2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N((E)(4pentoxyphenyl)methylideneamino)acetamide
CCCCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
CCCCCOc1ccc(cc1)C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3
InChI=1SC30H32N4O3S2c1239183723161421(151723)19313326(35)203830322827(2412781325(24)3928)29(36)34(30)22105461122h461011141719H237912131820H21H3(H3335)b3119+
MFCD03222424
ZINC000001790862
ZINC102947763
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