Vitas-M small molecule compound
2-chloro-5-{3-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK192763
SMILES S=C1N(c2ccccc2)C(=O)/C(=C/c2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)C)/C(=O)N1c1ccccc1
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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 C30H22ClN3O4S MW 556.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22ClN3O4S/c1-18-15-20(19(2)32(18)23-13-14-26(31)24(17-23)29(37)38)16-25-27(35)33(21-9-5-3-6-10-21)30(39)34(28(25)36)22-11-7-4-8-12-22/h3-17H,1-2H3,(H,37,38)InChIKey
FKQCDBCHUQGHQM-UHFFFAOYSA-NSynonyms
2chloro5(3((46dioxo13diphenyl2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzoicacid
2CHLORO5(3((46DIOXO13DIPHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC30H22ClN3O4Sc1181520(19(2)32(18)23131426(31)24(1723)29(37)38)162527(35)33(2195361021)30(39)34(28(25)36)22117481222h317H12H3(H3738)
MFCD02611863
S=C1N(c2ccccc2)C(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)C(=O)O)Cl)C)C(=O)N1c1ccccc1
ZINC000100249224
ZINC100249224
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