Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-3-[5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]propanamide
Catalog ID
STK497555
SMILES C=CCn1c(CCC(=O)Nc2ccc(c(c2)Cl)C)nnc1SCC(=O)N1CCOCC1
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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 C21H26ClN5O3S MW 463.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN5O3S/c1-3-8-27-18(6-7-19(28)23-16-5-4-15(2)17(22)13-16)24-25-21(27)31-14-20(29)26-9-11-30-12-10-26/h3-5,13H,1,6-12,14H2,2H3,(H,23,28)InChIKey
CFVYKQMMSBYTGE-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2CC=C)SCC(=O)N3CCOCC3)Cl
InChI=1SC21H26ClN5O3Sc1382718(6719(28)23165415(2)17(22)1316)242521(27)311420(29)2691130121026h3513H161214H22H3(H2328)
MFCD11854943
N(3chloro4methylphenyl)3(5((2(morpholin4yl)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)propanamide
N(3chloro4methylphenyl)3(5(2morpholin4yl2oxoethyl)sulfanyl4prop2enyl124triazol3yl)propanamide
ZINC000032579297
ZINC32579297
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