Vitas-M small molecule compound
2-{[3-(3,4-dimethylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Catalog ID
STL380828
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(c(c1)C)C)CCCC3)NCc1ccco1
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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 C25H25N3O3S2 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S2/c1-15-9-10-17(12-16(15)2)28-24(30)22-19-7-3-4-8-20(19)33-23(22)27-25(28)32-14-21(29)26-13-18-6-5-11-31-18/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3,(H,26,29)InChIKey
DGHSEUAXUOTTSH-UHFFFAOYSA-NSynonyms
2((3(34dimethylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(furan2ylmethyl)acetamide
2((3(34dimethylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(furan2ylmethyl)acetamide
CC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC=CO4)SC5=C3CCCC5)C
InChI=1SC25H25N3O3S2c11591017(1216(15)2)2824(30)2219734820(19)3323(22)2725(28)321421(29)26131865113118h56912H34781314H212H3(H2629)
MFCD04871860
ZINC000009296424
ZINC09296424
ZINC9296424
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