Vitas-M small molecule compound

propan-2-yl 4-[({[5-(furan-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK770209
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC(C)C)nnc1c1cocc1

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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-4-10-25-19(16-9-11-28-12-16)23-24-21(25)30-13-18(26)22-17-7-5-15(6-8-17)20(27)29-14(2)3/h4-9,11-12,14H,1,10,13H2,2-3H3,(H,22,26)
InChIKey
BQJGCBSMDAIWAP-UHFFFAOYSA-N
Synonyms

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=COC=C3
InChI=1SC21H22N4O4Sc14102519(16911281216)232421(25)301318(26)22177515(6817)20(27)2914(2)3h49111214H11013H223H3(H2226)
MFCD03764268
propan2yl4((((5(furan3yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
PROPAN2YL4((2((5(FURAN3YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000000719885
ZINC00719885
ZINC719885

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Available files

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