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Vitas-M small molecule compound

methyl 4-[(5E)-5-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-3-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoate

Catalog ID
STK387722
SMILES COC(=O)c1ccc(cc1)N1C(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2)Cl)/C(=O)N(C1=S)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 C29H22ClN3O4S MW 544.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O4S/c1-31-26(34)24(27(35)33(29(31)38)22-13-9-19(10-14-22)28(36)37-2)15-20-17-32(25-6-4-3-5-23(20)25)16-18-7-11-21(30)12-8-18/h3-15,17H,16H2,1-2H3/b24-15+
InChIKey
BALUFGNUWXHXAM-BUVRLJJBSA-N
Synonyms

CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl)C(=O)N(C1=S)C5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)N1C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)Cl)C(=O)N(C1=S)C
InChI=1SC29H22ClN3O4Sc13126(34)24(27(35)33(29(31)38)2213919(101422)28(36)372)15201732(25643523(20)25)161871121(30)12818h31517H16H212H3b2415+
METHYL4((5E)5((1((4CHLOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)3METHYL46DIOXO2SULFANYLIDENE13DIAZINAN1YL)BENZOATE
METHYL4((5E)5((1(4CHLOROBENZYL)1HINDOL3YL)METHYLIDENE)3METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOATE
METHYL4(5((1((4CHLOROPHENYL)METHYL)INDOL3YL)METHYLENE)3METHYL46DIOXO2THIOXO13DIHYDROPYRIMIDINYL)BENZOATE
METHYL4(5((1(4CHLOROBENZYL)1HINDOL3YL)METHYLENE)3METHYL46DIOXO2THIOXOTETRAHYDRO1(2H)PYRIMIDINYL)BENZOATE
MFCD02168298
ZINC000008444837
ZINC08444837
ZINC8444837

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Available files

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