Vitas-M small molecule compound
N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Catalog ID
STK722878
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)N/N=C(\c1ccc(cc1)[N+](=O)[O-])/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 C26H23N5O4S2 MW 533.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4S2/c1-16(17-11-13-19(14-12-17)31(34)35)28-29-22(32)15-36-26-27-24-23(20-9-5-6-10-21(20)37-24)25(33)30(26)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,29,32)/b28-16-InChIKey
OIKDDVZUUPVFES-NTFVMDSBSA-NSynonyms
497168-72-6(Z)N(1(4nitrophenyl)ethylidene)2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
497168726
CC(=NNC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC26H23N5O4S2c116(17111319(141217)31(34)35)282922(32)153626272423(209561021(20)3724)25(33)30(26)187324818h24781114H5691015H21H3(H2932)b2816
MFCD03222377
N((1Z)1(4nitrophenyl)ethylidene)2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((Z)1(4nitrophenyl)ethylideneamino)2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)NN=C(c1ccc(cc1)(N+)(=O)(O))C
ZINC000097939510
ZINC100974195
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