Vitas-M small molecule compound

methyl 5-methyl-2-{[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STL177704
SMILES COC(=O)c1cc(sc1NC(=O)c1noc2c1CC(C)CC2)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 C16H18N2O4S MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S/c1-8-4-5-12-10(6-8)13(18-22-12)14(19)17-15-11(16(20)21-3)7-9(2)23-15/h7-8H,4-6H2,1-3H3,(H,17,19)
InChIKey
PUHYSPHCNIJXHL-UHFFFAOYSA-N
Synonyms
832121-70-7
832121707
CC1CCC2=C(C1)C(=NO2)C(=O)NC3=C(C=C(S3)C)C(=O)OC
InChI=1SC16H18N2O4Sc18451210(68)13(182212)14(19)171511(16(20)213)79(2)2315h78H46H213H3(H1719)
methyl5methyl2(((5methyl4567tetrahydro12benzoxazol3yl)carbonyl)amino)thiophene3carboxylate
methyl5methyl2((5methyl4567tetrahydro12benzoxazole3carbonyl)amino)thiophene3carboxylate
MFCD04054248
ZINC000002803796
ZINC000002803797

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Available files

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