Vitas-M small molecule compound
N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK245759
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-2-25-19(11-22-20(27)15-8-9-17-18(10-15)29-13-28-17)23-24-21(25)30-12-16(26)14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3,(H,22,27)InChIKey
SHQWBFDMYLCCGB-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5(2OXO2PHENYLETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H20N4O4Sc122519(112220(27)15891718(1015)29132817)232421(25)301216(26)146435714h310H21113H21H3(H2227)
MFCD08670472
N((4ETHYL5((2OXO2PHENYLETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ethyl5phenacylsulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328025
ZINC09328025
ZINC9328025
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