Vitas-M small molecule compound
2-[5-(3,5-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Catalog ID
STL085404
SMILES CSc1cccc(c1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1cc(C)cc(c1)C
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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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-12-7-13(2)9-15(8-12)26-20(28)18-19(21(26)29)25(24-23-18)11-17(27)22-14-5-4-6-16(10-14)30-3/h4-10,18-19H,11H2,1-3H3,(H,22,27)InChIKey
XZALHIMKSXCTOS-UHFFFAOYSA-NSynonyms
1052604-33-71052604337
2(5(35dimethylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(3methylsulfanylphenyl)acetamide
2(5(35dimethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(3(methylsulfanyl)phenyl)acetamide
CC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC(=CC=C4)SC)C
InChI=1SC21H21N5O3Sc112713(2)915(812)2620(28)1819(21(26)29)25(242318)1117(27)221454616(1014)303h4101819H11H213H3(H2227)
MFCD07650243
ZINC000009748174
ZINC000100036713
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