Vitas-M small molecule compound
methyl 2-({[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL079547
SMILES COC(=O)c1ccccc1NC(=O)CSc1[nH]c(=O)c2c(n1)sc1c2CCC1
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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 C19H17N3O4S2 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4S2/c1-26-18(25)10-5-2-3-7-12(10)20-14(23)9-27-19-21-16(24)15-11-6-4-8-13(11)28-17(15)22-19/h2-3,5,7H,4,6,8-9H2,1H3,(H,20,23)(H,21,22,24)InChIKey
NXAUCKNESREQPM-UHFFFAOYSA-NSynonyms
494825-81-9494825819
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2
COC(=O)c1ccccc1NC(=O)CSc1(nH)c(=O)c2c(n1)sc1c2CCC1
InChI=1SC19H17N3O4S2c12618(25)10523712(10)2014(23)927192116(24)151164813(11)2817(15)2219h2357H4689H21H3(H2023)(H212224)
methyl2((((4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((1oxo2678tetrahydrocyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)acetyl)amino)benzoate
MFCD03650845
ZINC000002694950
ZINC02694950
ZINC2694950
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