Vitas-M small molecule compound
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]-N-(4-methylphenyl)acetamide
Catalog ID
STK720523
SMILES O=C(Nc1ccc(cc1)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 C21H21N5O2S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S2/c1-12-7-9-13(10-8-12)22-16(27)11-29-21-24-23-20-25(2)18(28)17-14-5-3-4-6-15(14)30-19(17)26(20)21/h7-10H,3-6,11H2,1-2H3,(H,22,27)InChIKey
DXPWQZSMYUPNHM-UHFFFAOYSA-NSynonyms
499117-14-52((4methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)N(4methylphenyl)acetamide
2((4methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)N(ptolyl)acetamide
499117145
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3C
InChI=1SC21H21N5O2S2c1127913(10812)2216(27)11292124232025(2)18(28)1714534615(14)3019(17)26(20)21h710H3611H212H3(H2227)
MFCD03302470
ZINC000009301811
ZINC09301811
ZINC9301811
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