Vitas-M small molecule compound
methyl S-benzyl-N-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}cysteinate
Catalog ID
STK685668
SMILES COC(=O)C(NC(=O)CSc1nc(C)cc(=O)[nH]1)CSCc1ccccc1
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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 C18H21N3O4S2 MW 407.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S2/c1-12-8-15(22)21-18(19-12)27-11-16(23)20-14(17(24)25-2)10-26-9-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,20,23)(H,19,21,22)InChIKey
VCVXQMWQPVRLIR-UHFFFAOYSA-NSynonyms
CC1=CC(=O)N=C(N1)SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC
COC(=O)C(NC(=O)CSc1nc(C)cc(=O)(nH)1)CSCc1ccccc1
InChI=1SC18H21N3O4S2c112815(22)2118(1912)271116(23)2014(17(24)252)10269136435713h3814H911H212H3(H2023)(H192122)
METHYL3BENZYLSULFANYL2((2((6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)PROPANOATE
methylSbenzylN(((4methyl6oxo16dihydropyrimidin2yl)sulfanyl)acetyl)cysteinate
METHYLSBENZYLN(((4METHYL6OXO16DIHYDROPYRIMIDIN2YL)THIO)ACETYL)CYSTEINATE
MFCD05860094
ZINC000017862700
ZINC000018115121
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