Vitas-M small molecule compound

5-chloro-2-(methylsulfanyl)-N-{3-[(pyridin-3-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide

Catalog ID
STK882251
SMILES CSc1ncc(c(n1)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)Cl

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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 C21H20ClN5O2S2 MW 474.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O2S2/c1-30-21-25-11-14(22)17(26-21)19(29)27-20-16(13-6-2-3-7-15(13)31-20)18(28)24-10-12-5-4-8-23-9-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,24,28)(H,27,29)
InChIKey
BUKKGHOQWOVTAZ-UHFFFAOYSA-N
Synonyms

5chloro2(methylsulfanyl)N(3((pyridin3ylmethyl)carbamoyl)4567tetrahydro1benzothiophen2yl)pyrimidine4carboxamide
5chloro2methylsulfanylN(3(pyridin3ylmethylcarbamoyl)4567tetrahydro1benzothiophen2yl)pyrimidine4carboxamide
CSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4)Cl
InChI=1SC21H20ClN5O2S2c13021251114(22)17(2621)19(29)272016(13623715(13)3120)18(28)24101254823912h458911H236710H21H3(H2428)(H2729)
MFCD06646061
ZINC000009409403
ZINC09409403
ZINC9409403

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Available files

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