Vitas-M small molecule compound

propan-2-yl 2-[(pyrazin-2-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK431912
SMILES CC(OC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCCC2)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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-11(2)24-18(23)15-12-6-4-3-5-7-14(12)25-17(15)21-16(22)13-10-19-8-9-20-13/h8-11H,3-7H2,1-2H3,(H,21,22)
InChIKey
BSZANRSHQKWGGG-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NC=CN=C3
InChI=1SC18H21N3O3Sc111(2)2418(23)15126435714(12)2517(15)2116(22)131019892013h811H37H212H3(H2122)
MFCD01346059
propan2yl2((pyrazin2ylcarbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2(pyrazine2carbonylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000000996112
ZINC00996112
ZINC996112

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Available files

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