Vitas-M small molecule compound
N-{1-[5-({2-[(2-fluoro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}furan-2-carboxamide
Catalog ID
STK498181
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2F)C)nnc1C(NC(=O)c1ccco1)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 C21H22FN5O3S MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O3S/c1-4-9-27-19(14(3)23-20(29)17-6-5-10-30-17)25-26-21(27)31-12-18(28)24-16-8-7-13(2)11-15(16)22/h4-8,10-11,14H,1,9,12H2,2-3H3,(H,23,29)(H,24,28)InChIKey
AMWPFWMZGOGQGT-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=CO3)F
InChI=1SC21H22FN5O3Sc1492719(14(3)2320(29)1765103017)252621(27)311218(28)24168713(2)1115(16)22h48101114H1912H223H3(H2329)(H2428)
MFCD11855348
N(1(5((2((2fluoro4methylphenyl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)ethyl)furan2carboxamide
N(1(5(2(2fluoro4methylanilino)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)ethyl)furan2carboxamide
ZINC000032579613
ZINC000032579614
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