Vitas-M small molecule compound
N-(2-nitrophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK804352
SMILES C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2
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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 C21H20N4O4S2 MW 456.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S2/c1-2-11-24-20(27)18-13-7-3-6-10-16(13)31-19(18)23-21(24)30-12-17(26)22-14-8-4-5-9-15(14)25(28)29/h2,4-5,8-9H,1,3,6-7,10-12H2,(H,22,26)InChIKey
BDEGILLXNPGSTR-UHFFFAOYSA-NSynonyms
421577-86-82((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(2nitrophenyl)acetamide
421577868
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3(N+)(=O)(O))SC4=C2CCCC4
C=CCn1c(SCC(=O)Nc2ccccc2(N+)(=O)(O))nc2c(c1=O)c1CCCCc1s2
InChI=1SC21H20N4O4S2c12112420(27)18137361016(13)3119(18)2321(24)301217(26)2214845915(14)25(28)29h24589H13671012H2(H2226)
MFCD03299647
N(2nitrophenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2nitrophenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000009444282
ZINC09444282
ZINC9444282
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