Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359260
SMILES O=C(C1Sc2nnc(n2NC1c1ccc(cc1)C)c1ccccc1)Nc1cc(Cl)ccc1C
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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 C25H22ClN5OS MW 476.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5OS/c1-15-8-11-17(12-9-15)21-22(24(32)27-20-14-19(26)13-10-16(20)2)33-25-29-28-23(31(25)30-21)18-6-4-3-5-7-18/h3-14,21-22,30H,1-2H3,(H,27,32)InChIKey
CQNNOXMZCOODKI-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C4=CC=CC=C4)C(=O)NC5=C(C=CC(=C5)Cl)C
InChI=1SC25H22ClN5OSc11581117(12915)2122(24(32)27201419(26)131016(20)2)3325292823(31(25)3021)186435718h314212230H12H3(H2732)
MFCD08098610
N(5chloro2methylphenyl)6(4methylphenyl)3phenyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009238167
ZINC000009238171
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