Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK154243
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
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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 C23H18ClN5O3S MW 479.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5O3S/c1-15-7-10-17(24)13-20(15)25-21(30)14-33-23-27-26-22(28(23)18-5-3-2-4-6-18)16-8-11-19(12-9-16)29(31)32/h2-13H,14H2,1H3,(H,25,30)InChIKey
MQMLHFVFKPMOQZ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H18ClN5O3Sc11571017(24)1320(15)2521(30)143323272622(28(23)185324618)1681119(12916)29(31)32h213H14H21H3(H2530)
MFCD02739214
N(5CHLORO2METHYLPHENYL)2((5(4NITROPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(5CHLORO2METHYLPHENYL)2((5(4NITROPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000000868989
ZINC00868989
ZINC868989
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