Vitas-M small molecule compound
methyl 4-[({[3-(3,4-dimethylbenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL029769
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(c(c1)C)C
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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 C25H23N3O4S2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S2/c1-15-4-5-17(12-16(15)2)13-28-23(30)22-20(10-11-33-22)27-25(28)34-14-21(29)26-19-8-6-18(7-9-19)24(31)32-3/h4-12H,13-14H2,1-3H3,(H,26,29)InChIKey
JQXOIDICHJZJBH-UHFFFAOYSA-NSynonyms
1252930-63-41252930634
CC1=C(C=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC)C
InChI=1SC25H23N3O4S2c1154517(1216(15)2)132823(30)2220(10113322)2725(28)341421(29)26198618(7919)24(31)323h412H1314H213H3(H2629)
methyl4((((3(34dimethylbenzyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4((2(3((34dimethylphenyl)methyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetyl)amino)benzoate
MFCD18190059
ZINC000067690006
ZINC67690006
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