Vitas-M small molecule compound
propan-2-yl [(5-{(2Z)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Catalog ID
STL168444
SMILES CC(OC(=O)CSc1nnc([nH]1)N/N=C(\c1ccc2c(c1)OCO2)/C)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 C16H19N5O4S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O4S/c1-9(2)25-14(22)7-26-16-17-15(20-21-16)19-18-10(3)11-4-5-12-13(6-11)24-8-23-12/h4-6,9H,7-8H2,1-3H3,(H2,17,19,20,21)/b18-10-InChIKey
RVRXWLYOCLFBMR-ZDLGFXPLSA-NSynonyms
CC(C)OC(=O)CSC1=NNC(=N1)NN=C(C)C2=CC3=C(C=C2)OCO3
CC(OC(=O)CSc1nnc((nH)1)NN=C(c1ccc2c(c1)OCO2)C)C
InChI=1SC16H19N5O4Sc19(2)2514(22)726161715(202116)191810(3)11451213(611)2482312h469H78H213H3(H217192021)b1810
MFCD03580791
propan2yl((5((2Z)2(1(13benzodioxol5yl)ethylidene)hydrazinyl)4H124triazol3yl)sulfanyl)acetate
PROPAN2YL2((5((2Z)2(1(13BENZODIOXOL5YL)ETHYLIDENE)HYDRAZINYL)1H124TRIAZOL3YL)SULFANYL)ACETATE
ZINC000006884018
ZINC06388995
ZINC6388995
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