Vitas-M small molecule compound

N-(2,6-dimethylphenyl)-2-{[3-(3-methoxybenzyl)-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STL193172
SMILES COc1cccc(c1)Cn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(c1=O)[nH]cc2c1ccccc1

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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 C30H28N4O3S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O3S/c1-19-9-7-10-20(2)26(19)32-25(35)18-38-30-33-27-24(22-12-5-4-6-13-22)16-31-28(27)29(36)34(30)17-21-11-8-14-23(15-21)37-3/h4-16,31H,17-18H2,1-3H3,(H,32,35)
InChIKey
HERGNCVMEGGIJT-UHFFFAOYSA-N
Synonyms
1794959-09-3
1794959093
CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC(=CC=C4)OC)NC=C3C5=CC=CC=C5
COc1cccc(c1)Cn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(c1=O)(nH)cc2c1ccccc1
InChI=1SC30H28N4O3Sc119971020(2)26(19)3225(35)183830332724(22125461322)163128(27)29(36)34(30)17211181423(1521)373h41631H1718H213H3(H3235)
MFCD22390915
N(26dimethylphenyl)2((3((3methoxyphenyl)methyl)4oxo7phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(26dimethylphenyl)2((3(3methoxybenzyl)4oxo7phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(26DIMETHYLPHENYL)2((3(3METHOXYBENZYL)4OXO7PHENYL45DIHYDRO3HPYRROLO(32D)PYRIMIDIN2YL)THIO)ACETAMIDE
ZINC000072333439
ZINC72333439

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Available files

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