Vitas-M small molecule compound
methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Catalog ID
STK956455
SMILES COC(=O)c1sc2c(c1N)c(Sc1ccc(cc1)Cl)cc(c2)[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 C16H11ClN2O4S2 MW 394.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O4S2/c1-23-16(20)15-14(18)13-11(24-10-4-2-8(17)3-5-10)6-9(19(21)22)7-12(13)25-15/h2-7H,18H2,1H3InChIKey
ORXRGBUOZNWGHI-UHFFFAOYSA-NSynonyms
438230-49-0438230490
COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=C(C=C3)Cl)(N+)(=O)(O))N
COC(=O)c1sc2c(c1N)c(Sc1ccc(cc1)Cl)cc(c2)(N+)(=O)(O)
InChI=1SC16H11ClN2O4S2c12316(20)1514(18)1311(2410428(17)3510)69(19(21)22)712(13)2515h27H18H21H3
methyl3amino4((4chlorophenyl)sulfanyl)6nitro1benzothiophene2carboxylate
METHYL3AMINO4(4CHLOROPHENYL)SULFANYL6NITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03467035
ZINC000000655614
ZINC00655614
ZINC655614
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