Vitas-M small molecule compound
N-{1-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-2-methylbenzamide
Catalog ID
STK139031
SMILES CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nnc1C(C(C)C)NC(=O)c1ccccc1C
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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 C25H30ClN5O2S MW 500.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN5O2S/c1-6-31-23(22(15(2)3)28-24(33)18-11-8-7-10-16(18)4)29-30-25(31)34-14-21(32)27-20-13-9-12-19(26)17(20)5/h7-13,15,22H,6,14H2,1-5H3,(H,27,32)(H,28,33)InChIKey
USRVTYLWGJXLGF-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)Cl)C)C(C(C)C)NC(=O)C3=CC=CC=C3C
InChI=1SC25H30ClN5O2Sc163123(22(15(2)3)2824(33)1811871016(18)4)293025(31)341421(32)27201391219(26)17(20)5h7131522H614H215H3(H2732)(H2833)
MFCD08671402
N(1(5((2((3CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)2METHYLPROPYL)2METHYLBENZAMIDE
N(1(5(2(3CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)2METHYLPROPYL)2METHYLBENZAMIDE
ZINC000009601126
ZINC000009601127
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