Vitas-M small molecule compound
2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
Catalog ID
STL056715
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)N/N=C/c1cccc(c1)[N+](=O)[O-]
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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/c1-16-9-11-18(12-10-16)30-25(33)23-20-7-2-3-8-21(20)37-24(23)28-26(30)36-15-22(32)29-27-14-17-5-4-6-19(13-17)31(34)35/h4-6,9-14H,2-3,7-8,15H2,1H3,(H,29,32)/b27-14+InChIKey
HHSVJPWNMXWESS-MZJWZYIUSA-NSynonyms
613231-74-6(E)N(3nitrobenzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N((E)(3nitrophenyl)methylidene)acetohydrazide
2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N((E)(3nitrophenyl)methylideneamino)acetamide
613231746
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=CC(=CC=C4)(N+)(=O)(O))SC5=C3CCCC5
InChI=1SC26H23N5O4S2c11691118(121016)3025(33)2320723821(20)3724(23)2826(30)361522(32)2927141754619(1317)31(34)35h46914H237815H21H3(H2932)b2714+
MFCD03675207
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)NN=Cc1cccc(c1)(N+)(=O)(O)
ZINC000097951963
ZINC100858839
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.