Vitas-M small molecule compound

N-(4-oxo-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)pyridine-2-carboxamide

Catalog ID
STK437247
SMILES O=C(c1ccccn1)Nn1c(S)nc2c(c1=O)c1CCCCc1s2

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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 C16H14N4O2S2 MW 358.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O2S2/c21-13(10-6-3-4-8-17-10)19-20-15(22)12-9-5-1-2-7-11(9)24-14(12)18-16(20)23/h3-4,6,8H,1-2,5,7H2,(H,18,23)(H,19,21)
InChIKey
TXONTOWWUKWHDK-UHFFFAOYSA-N
Synonyms

C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)NC(=O)C4=CC=CC=N4
InChI=1SC16H14N4O2S2c2113(1063481710)192015(22)129512711(9)2414(12)1816(20)23h3468H1257H2(H1823)(H1921)
MFCD03944704
N(4oxo2sulfanyl5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)pyridine2carboxamide
N(4oxo2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin3yl)pyridine2carboxamide
ZINC000017073988
ZINC17073988

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Available files

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