Vitas-M small molecule compound

1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Catalog ID
STK531091
SMILES Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3

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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 C26H21ClN4O2S2 MW 521.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O2S2/c1-15-6-5-9-20-21(15)22-23(33)30(18-7-3-2-4-8-18)25-28-29-26(31(25)24(22)35-20)34-14-19(32)16-10-12-17(27)13-11-16/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3
InChIKey
YOEOWCXAHGYCTG-UHFFFAOYSA-N
Synonyms

1((2(4chlorophenyl)2oxoethyl)sulfanyl)6methyl4phenyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)6methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)N(C3=O)C6=CC=CC=C6
InChI=1SC26H21ClN4O2S2c1156592021(15)2223(33)30(187324818)25282926(31(25)24(22)3520)341419(32)16101217(27)131116h2478101315H56914H21H3
MFCD02242325
ZINC000002299613
ZINC000002299614

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Available files

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