Vitas-M small molecule compound

N-({[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetyl)-beta-alanine

Catalog ID
STL233184
SMILES O=C(CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C)NCCC(=O)O

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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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-13-5-4-6-14(9-13)19-23-16-10-21(2,3)28-11-15(16)20(24-19)29-12-17(25)22-8-7-18(26)27/h4-6,9H,7-8,10-12H2,1-3H3,(H,22,25)(H,26,27)
InChIKey
JOJZWFRBYRARJK-UHFFFAOYSA-N
Synonyms
929967-88-4
3((2((77dimethyl2(3methylphenyl)58dihydropyrano(43d)pyrimidin4yl)sulfanyl)acetyl)amino)propanoicacid
3(2((77dimethyl2(mtolyl)78dihydro5Hpyrano(43d)pyrimidin4yl)thio)acetamido)propanoicacid
929967884
CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC(=O)NCCC(=O)O
InChI=1SC21H25N3O4Sc11354614(913)1923161021(23)281115(16)20(2419)291217(25)228718(26)27h469H781012H213H3(H2225)(H2627)
MFCD09849259
N(((77dimethyl2(3methylphenyl)78dihydro5Hpyrano(43d)pyrimidin4yl)sulfanyl)acetyl)betaalanine
ZINC000009053025
ZINC9053025

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Available files

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