Vitas-M small molecule compound
methyl 5-[({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate
Catalog ID
STK115236
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1N)c1cccc(c1)C
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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 C19H18ClN5O3S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O3S/c1-11-4-3-5-12(8-11)17-23-24-19(25(17)21)29-10-16(26)22-13-6-7-15(20)14(9-13)18(27)28-2/h3-9H,10,21H2,1-2H3,(H,22,26)InChIKey
WZEVZMZVNCVWRK-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC
InChI=1SC19H18ClN5O3Sc11143512(811)17232419(25(17)21)291016(26)22136715(20)14(913)18(27)282h39H1021H212H3(H2226)
METHYL5((((4AMINO5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)2CHLOROBENZOATE
METHYL5((2((4AMINO5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)2CHLOROBENZOATE
MFCD04090897
ZINC000000687356
ZINC00687356
ZINC687356
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