Vitas-M small molecule compound
methyl [(5E)-5-{[(3-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Catalog ID
STK570728
SMILES COC(=O)Cc1n[nH]/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/s1
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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 C12H10N4O5S MW 322.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N4O5S/c1-21-10(17)6-9-14-15-12(22-9)13-11(18)7-3-2-4-8(5-7)16(19)20/h2-5H,6H2,1H3,(H,13,15,18)InChIKey
QHVRAAJBWUXTMV-UHFFFAOYSA-NSynonyms
714239-53-9714239539
COC(=O)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
COC(=O)Cc1n(nH)c(=NC(=O)c2cccc(c2)(N+)(=O)(O))s1
InChI=1SC12H10N4O5Sc12110(17)69141512(229)1311(18)73248(57)16(19)20h25H6H21H3(H131518)
methyl((5E)5(((3nitrophenyl)carbonyl)imino)45dihydro134thiadiazol2yl)acetate
METHYL2(5((3NITROBENZOYL)AMINO)134THIADIAZOL2YL)ACETATE
MFCD05729399
ZINC000009360074
ZINC9360074
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