Vitas-M small molecule compound

methyl 1-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate

Catalog ID
STL398639
SMILES CCOc1ccc2c(c1)sc(n2)SCn1ccc(n1)C(=O)OC

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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 C15H15N3O3S2 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O3S2/c1-3-21-10-4-5-11-13(8-10)23-15(16-11)22-9-18-7-6-12(17-18)14(19)20-2/h4-8H,3,9H2,1-2H3
InChIKey
QZFVORNGDKMBHP-UHFFFAOYSA-N
Synonyms
1005663-00-2
1005663002
CCOC1=CC2=C(C=C1)N=C(S2)SCN3C=CC(=N3)C(=O)OC
InChI=1SC15H15N3O3S2c132110451113(810)2315(1611)229187612(1718)14(19)202h48H39H212H3
METHYL1(((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
METHYL1((6ETHOXY13BENZOTHIAZOL2YL)SULFANYLMETHYL)PYRAZOLE3CARBOXYLATE
MFCD04050614
ZINC000002786287
ZINC02786287
ZINC2786287

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Available files

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