Vitas-M small molecule compound
4-(3-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
Catalog ID
STK188239
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2C)C(=O)O)C)/C1=O
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-5-8-24-20(27)17(19(26)23-22(24)30)11-16-10-13(3)25(14(16)4)18-7-6-15(21(28)29)9-12(18)2/h5-7,9-11H,1,8H2,2-4H3,(H,28,29)(H,23,26,30)/b17-11+InChIKey
VDCNCTHGQGLQEU-GZTJUZNOSA-NSynonyms
428835-46-54(3((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOICACID
4(3((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)3METHYLBENZOICACID
428835465
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)C(=O)O)C)C1=O
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC22H21N3O4Sc1582420(27)17(19(26)2322(24)30)11161013(3)25(14(16)4)187615(21(28)29)912(18)2h57911H18H224H3(H2829)(H232630)b1711+
MFCD02605303
ZINC000001175791
ZINC1175791
Check stock
See real-time availability and sample size for STK188239 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.