Vitas-M small molecule compound
N-[(4-methyl-5-{[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK261100
SMILES O=C(C(Sc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2)C)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/c1-10(15(25)21-17-19-5-6-29-17)30-18-23-22-14(24(18)2)8-20-16(26)11-3-4-12-13(7-11)28-9-27-12/h3-7,10H,8-9H2,1-2H3,(H,20,26)(H,19,21,25)InChIKey
RMFQZGIJSZYFOC-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4METHYL5(1(THIAZOL2YLCARBAMOYL)ETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CC(C(=O)NC1=NC=CS1)SC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC18H18N6O4S2c110(15(25)211719562917)3018232214(24(18)2)82016(26)11341213(711)2892712h3710H89H212H3(H2026)(H192125)
MFCD08670471
N((4METHYL5((1OXO1(13THIAZOL2YLAMINO)PROPAN2YL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4methyl5(1oxo1(13thiazol2ylamino)propan2yl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009426792
ZINC000009426793
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