Vitas-M small molecule compound

N'-[(Z)-(2,3-dimethoxyphenyl)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
STL307905
SMILES COc1c(/C=N\NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccc(cc2)C)CCCC4)cccc1OC

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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 C28H28N4O4S2 MW 548.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S2/c1-17-11-13-19(14-12-17)32-27(34)24-20-8-4-5-10-22(20)38-26(24)30-28(32)37-16-23(33)31-29-15-18-7-6-9-21(35-2)25(18)36-3/h6-7,9,11-15H,4-5,8,10,16H2,1-3H3,(H,31,33)/b29-15-
InChIKey
LJEJULQVYXOQFY-FDVSRXAVSA-N
Synonyms

(E)N(23dimethoxybenzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=C(C(=CC=C4)OC)OC)SC5=C3CCCC5
COc1c(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccc(cc2)C)CCCC4)cccc1OC
InChI=1SC28H28N4O4S2c117111319(141217)3227(34)24208451022(20)3826(24)3028(32)371623(33)3129151876921(352)25(18)363h6791115H4581016H213H3(H3133)b2915
MFCD03217750
N((Z)(23dimethoxyphenyl)methylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((Z)(23dimethoxyphenyl)methylideneamino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000100852478
ZINC2236200

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Available files

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