Vitas-M small molecule compound

2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide

Catalog ID
STL151422
SMILES O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

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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 C20H18ClN7OS MW 439.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN7OS/c1-12-14(21)8-5-9-15(12)23-18(29)11-30-20-27-26-19(28(20)22)17-10-16(24-25-17)13-6-3-2-4-7-13/h2-10H,11,22H2,1H3,(H,23,29)(H,24,25)
InChIKey
CFTBNENSPYPWFV-UHFFFAOYSA-N
Synonyms
879468-75-4
2((4AMINO5(3PHENYL1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(3CHLORO2METHYLPHENYL)ACETAMIDE
2((4amino5(3phenyl1Hpyrazol5yl)4H124triazol3yl)thio)N(3chloro2methylphenyl)acetamide
2((4amino5(5phenyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(3chloro2methylphenyl)acetamide
2(4AMINO5(3PHENYLPYRAZOL5YL)(124TRIAZOL3YLTHIO))N(3CHLORO2METHYLPHENYL)ACETAMIDE
879468754
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4
InChI=1SC20H18ClN7OSc11214(21)85915(12)2318(29)113020272619(28(20)22)171016(242517)136324713h210H1122H21H3(H2329)(H2425)
MFCD07210368
O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1N)c1(nH)nc(c1)c1ccccc1
O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1N)c1n(nH)c(c1)c1ccccc1
ZINC000009448461
ZINC09448461
ZINC9448461

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Available files

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