Vitas-M small molecule compound
5-benzyl-4-methyl-2-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}thiophene-3-carboxamide
Catalog ID
STK088027
SMILES NC(=O)c1c(/N=C/c2cc3OCOc3cc2[N+](=O)[O-])sc(c1C)Cc1ccccc1
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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-12-18(7-13-5-3-2-4-6-13)30-21(19(12)20(22)25)23-10-14-8-16-17(29-11-28-16)9-15(14)24(26)27/h2-6,8-10H,7,11H2,1H3,(H2,22,25)/b23-10+InChIKey
AKCPUGYDNIONRY-AUEPDCJTSA-NSynonyms
2((1E)2(6NITRO(2HBENZO(34D)13DIOXOLAN5YL))1AZAVINYL)4METHYL5BENZYLTHIOPHENE3CARBOXAMIDE
5BENZYL2(((6NITRO13BENZODIOXOL5YL)METHYLENE)AMINO)4METHYL3THIOPHENECARBOXAMIDE
5BENZYL4METHYL2(((E)(6NITRO13BENZODIOXOL5YL)METHYLIDENE)AMINO)THIOPHENE3CARBOXAMIDE
5benzyl4methyl2((E)(6nitro13benzodioxol5yl)methylideneamino)thiophene3carboxamide
CC1=C(SC(=C1C(=O)N)N=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)CC4=CC=CC=C4
InChI=1SC21H17N3O5Sc11218(7135324613)3021(19(12)20(22)25)23101481617(29112816)915(14)24(26)27h26810H711H21H3(H22225)b2310+
MFCD01191180
NC(=O)c1c(N=Cc2cc3OCOc3cc2(N+)(=O)(O))sc(c1C)Cc1ccccc1
STK088027
ZINC000000671961
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