Vitas-M small molecule compound
N-(4-tert-butylbenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide
Catalog ID
STK910929
SMILES O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)c1cccc(c1)[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 C22H26N2O5S MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5S/c1-22(2,3)18-9-7-16(8-10-18)14-23(20-11-12-30(28,29)15-20)21(25)17-5-4-6-19(13-17)24(26)27/h4-10,13,20H,11-12,14-15H2,1-3H3InChIKey
JWBSFBCYTABQNI-UHFFFAOYSA-NSynonyms
866239-29-4866239294
CC(C)(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H26N2O5Sc122(23)189716(81018)1423(20111230(2829)1520)21(25)1754619(1317)24(26)27h4101320H11121415H213H3
MFCD07425821
N((4tertbutylphenyl)methyl)N(11dioxothiolan3yl)3nitrobenzamide
N(4tertbutylbenzyl)N(11dioxidotetrahydrothiophen3yl)3nitrobenzamide
O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000008869805
ZINC000008869806
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