Vitas-M small molecule compound
N-(4-acetylphenyl)-2-[(4-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Catalog ID
STK541827
SMILES O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3
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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 C22H21N5O3S2 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S2/c1-12(28)13-7-9-14(10-8-13)23-17(29)11-31-22-25-24-21-26(2)19(30)18-15-5-3-4-6-16(15)32-20(18)27(21)22/h7-10H,3-6,11H2,1-2H3,(H,23,29)InChIKey
OYRFNWNWNAGTLC-UHFFFAOYSA-NSynonyms
488705-46-0488705460
CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3C
InChI=1SC22H21N5O3S2c112(28)137914(10813)2317(29)11312225242126(2)19(30)1815534616(15)3220(18)27(21)22h710H3611H212H3(H2329)
MFCD03290461
N(4acetylphenyl)2((4methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4acetylphenyl)2((4methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000002335272
ZINC02335272
ZINC2335272
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