Vitas-M small molecule compound
2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Catalog ID
STL077567
SMILES O=C(Cn1c2ccsc2c(=O)n(c1=O)c1cccc(c1)Cl)NCCC1=CCCCC1
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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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c23-16-7-4-8-17(13-16)26-21(28)20-18(10-12-30-20)25(22(26)29)14-19(27)24-11-9-15-5-2-1-3-6-15/h4-5,7-8,10,12-13H,1-3,6,9,11,14H2,(H,24,27)InChIKey
IIOMLFQKZGBSSU-UHFFFAOYSA-NSynonyms
2(3(3chlorophenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)N(2(cyclohex1en1yl)ethyl)acetamide
2(3(3chlorophenyl)24dioxothieno(32d)pyrimidin1yl)N(2(cyclohexen1yl)ethyl)acetamide
C1CCC(=CC1)CCNC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC(=CC=C4)Cl)SC=C3
InChI=1SC22H22ClN3O3Sc231674817(1316)2621(28)2018(10123020)25(22(26)29)1419(27)24119155213615h4578101213H13691114H2(H2427)
MFCD18198794
ZINC000057491402
ZINC57491402
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