Vitas-M small molecule compound

3-(2-chlorophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

Catalog ID
STK493250
SMILES CCN(C(=O)c1sc(c(c1C)C#N)NC(=O)c1c(C)onc1c1ccccc1Cl)CC

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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 C22H21ClN4O3S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S/c1-5-27(6-2)22(29)19-12(3)15(11-24)21(31-19)25-20(28)17-13(4)30-26-18(17)14-9-7-8-10-16(14)23/h7-10H,5-6H2,1-4H3,(H,25,28)
InChIKey
FSOMFJASFQYNGV-UHFFFAOYSA-N
Synonyms
313386-71-9
3(2chlorophenyl)N(3cyano5(diethylcarbamoyl)4methylthiophen2yl)5methyl12oxazole4carboxamide
313386719
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C)C#N)C
InChI=1SC22H21ClN4O3Sc1527(62)22(29)1912(3)15(1124)21(3119)2520(28)1713(4)302618(17)149781016(14)23h710H56H214H3(H2528)
MFCD01343101
ZINC000000995351
ZINC00995351
ZINC995351

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.