Vitas-M small molecule compound
N-(3-methoxyphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide
Catalog ID
STK676647
SMILES COc1cccc(c1)NC(=O)CN1CCN(CC1)c1nc2c(s1)cc(cc2)[N+](=O)[O-]
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-29-16-4-2-3-14(11-16)21-19(26)13-23-7-9-24(10-8-23)20-22-17-6-5-15(25(27)28)12-18(17)30-20/h2-6,11-12H,7-10,13H2,1H3,(H,21,26)InChIKey
JKXKTQFMQTZTPR-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O)
COc1cccc(c1)NC(=O)CN1CCN(CC1)c1nc2c(s1)cc(cc2)(N+)(=O)(O)
InChI=1SC20H21N5O4Sc1291642314(1116)2119(26)13237924(10823)2022176515(25(27)28)1218(17)3020h261112H71013H21H3(H2126)
MFCD02039715
N(3methoxyphenyl)2(4(6nitro13benzothiazol2yl)piperazin1yl)acetamide
ZINC000055202015
ZINC55202015
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