Vitas-M small molecule compound
2-{[4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
Catalog ID
STL354554
SMILES O=C(CSc1nnc(n1c1ccc(c(c1)C)C)c1ccncc1)NCC1CCCO1
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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 C22H25N5O2S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2S/c1-15-5-6-18(12-16(15)2)27-21(17-7-9-23-10-8-17)25-26-22(27)30-14-20(28)24-13-19-4-3-11-29-19/h5-10,12,19H,3-4,11,13-14H2,1-2H3,(H,24,28)InChIKey
PCSFYVAHGAYUQL-UHFFFAOYSA-NSynonyms
2((4(34dimethylphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)N(tetrahydrofuran2ylmethyl)acetamide
2((4(34DIMETHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)N(OXOLAN2YLMETHYL)ACETAMIDE
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NCC3CCCO3)C4=CC=NC=C4)C
InChI=1SC22H25N5O2Sc1155618(1216(15)2)2721(17792310817)252622(27)301420(28)24131943112919h5101219H34111314H212H3(H2428)
MFCD05987565
ZINC000001112910
ZINC000001112912
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