Vitas-M small molecule compound
N-[(4-ethyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK245762
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1nccs1
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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 C18H18N6O4S2 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O4S2/c1-2-24-14(8-20-16(26)11-3-4-12-13(7-11)28-10-27-12)22-23-18(24)30-9-15(25)21-17-19-5-6-29-17/h3-7H,2,8-10H2,1H3,(H,20,26)(H,19,21,25)InChIKey
LPOBXOKZGDVJHP-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5(THIAZOL2YLCARBAMOYLMETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC18H18N6O4S2c122414(82016(26)11341213(711)28102712)222318(24)30915(25)211719562917h37H2810H21H3(H2026)(H192125)
MFCD08670475
N((4ETHYL5((2OXO2(13THIAZOL2YLAMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ethyl5(2oxo2(13thiazol2ylamino)ethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328037
ZINC09328037
ZINC9328037
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