Vitas-M small molecule compound
N-(4-bromophenyl)-2-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK551038
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)SCc1s2
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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 C22H22BrN3O2S3 MW 536.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O2S3/c1-4-9-26-20(28)18-15-10-22(2,3)30-11-16(15)31-19(18)25-21(26)29-12-17(27)24-14-7-5-13(23)6-8-14/h4-8H,1,9-12H2,2-3H3,(H,24,27)InChIKey
BKIWUGZZUKDUHC-UHFFFAOYSA-NSynonyms
839700-06-02((3allyl66dimethyl4oxo4568tetrahydro3Hthiopyrano(4345)thieno(23d)pyrimidin2yl)thio)N(4bromophenyl)acetamide
839700060
CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)Br)CC=C)C
InChI=1SC22H22BrN3O2S3c1492620(28)18151022(23)301116(15)3119(18)2521(26)291217(27)24147513(23)6814h48H1912H223H3(H2427)
MFCD03692826
N(4bromophenyl)2((66dimethyl4oxo3(prop2en1yl)3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4bromophenyl)2((66dimethyl4oxo3prop2enyl58dihydrothiopyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
ZINC000002254445
ZINC2254445
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