Vitas-M small molecule compound
4-butoxy-3-nitrobenzyl carbamimidothioate
Catalog ID
STL286836
SMILES CCCCOc1ccc(cc1[N+](=O)[O-])CSC(=N)N
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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 C12H17N3O3S MW 283.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N3O3S/c1-2-3-6-18-11-5-4-9(8-19-12(13)14)7-10(11)15(16)17/h4-5,7H,2-3,6,8H2,1H3,(H3,13,14)InChIKey
NLJHFNAOINRWEU-UHFFFAOYSA-NSynonyms
(4BUTOXY3NITROPHENYL)METHYLCARBAMIMIDOTHIOATE
(4BUTOXY3NITROPHENYL)METHYLCARBAMIMIDOTHIOATEHYDROCHLORIDE
2(4BUTOXY3NITROBENZYL)ISOTHIOUREA
2(4BUTOXY3NITROBENZYL)ISOTHIOUREAHYDROCHLORIDE
4butoxy3nitrobenzylcarbamimidothioate
4butoxy3nitrobenzylcarbamimidothioatehydrochloride
CARBAMIMIDOTHIOICACID(4BUTOXY3NITROPHENYL)METHYLESTERHYDROCHLORIDE
CCCCOC1=C(C=C(C=C1)CSC(=N)N)(N+)(=O)(O)
CCCCOc1ccc(cc1(N+)(=O)(O))CSC(=N)N
CCCCOc1ccc(cc1(N+)(=O)(O))CSC(=N)NCl
InChI=1SC12H17N3O3Sc12361811549(81912(13)14)710(11)15(16)17h457H2368H21H3(H31314)
MFCD03293076
ZINC000004888681
ZINC4888681
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