Vitas-M small molecule compound
4-[(8-methoxy-4-oxo-2-thioxo-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(3-methylbutyl)benzamide
Catalog ID
STL131725
SMILES COc1ccc2c(c1)c1[nH]c(=S)n(c(=O)c1[nH]2)Cc1ccc(cc1)C(=O)NCCC(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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-14(2)10-11-25-22(29)16-6-4-15(5-7-16)13-28-23(30)21-20(27-24(28)32)18-12-17(31-3)8-9-19(18)26-21/h4-9,12,14,26H,10-11,13H2,1-3H3,(H,25,29)(H,27,32)InChIKey
IVCKABFXHNLBGH-UHFFFAOYSA-NSynonyms
4((8methoxy4oxo2sulfanylidene15dihydropyrimido(54b)indol3yl)methyl)N(3methylbutyl)benzamide
4((8methoxy4oxo2thioxo1245tetrahydro3Hpyrimido(54b)indol3yl)methyl)N(3methylbutyl)benzamide
CC(C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S
COc1ccc2c(c1)c1(nH)c(=S)n(c(=O)c1(nH)2)Cc1ccc(cc1)C(=O)NCCC(C)C
InChI=1SC24H26N4O3Sc114(2)10112522(29)166415(5716)132823(30)2120(2724(28)32)181217(313)8919(18)2621h49121426H101113H213H3(H2529)(H2732)
MFCD14780990
ZINC000020331219
ZINC20331219
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