Vitas-M small molecule compound
N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
Catalog ID
STL337435
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)N/N=C/c1ccc(cc1)C(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 C30H32N4O2S2 MW 544.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O2S2/c1-19-9-15-22(16-10-19)34-28(36)26-23-7-5-6-8-24(23)38-27(26)32-29(34)37-18-25(35)33-31-17-20-11-13-21(14-12-20)30(2,3)4/h9-17H,5-8,18H2,1-4H3,(H,33,35)/b31-17+InChIKey
RTNMHRMMCZRCQT-KBVAKVRCSA-NSynonyms
613231-69-9(E)N(4(tertbutyl)benzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
613231699
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=CC=C(C=C4)C(C)(C)C)SC5=C3CCCC5
InChI=1SC30H32N4O2S2c11991522(161019)3428(36)2623756824(23)3827(26)3229(34)371825(35)33311720111321(141220)30(23)4h917H5818H214H3(H3335)b3117+
MFCD03675660
N((E)(4tertbutylphenyl)methylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((E)(4tertbutylphenyl)methylideneamino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)NN=Cc1ccc(cc1)C(C)(C)C
ZINC000002214250
ZINC100858827
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.