Vitas-M small molecule compound
6-(4-nitrophenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepine-5-thione
Catalog ID
STK131822
SMILES S=C1c2ccccc2C2=C1C(Sc1c(N2)cccc1)c1ccc(cc1)[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 C22H14N2O2S2 MW 402.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N2O2S2/c25-24(26)14-11-9-13(10-12-14)22-19-20(15-5-1-2-6-16(15)21(19)27)23-17-7-3-4-8-18(17)28-22/h1-12,22-23HInChIKey
QYSPMKGKUFZYSW-UHFFFAOYSA-NSynonyms
11(4NITROPHENYL)511DIHYDROINDENO(21C)(15)BENZOTHIAZEPINE12THIONE
11(4NITROPHENYL)5H11HBENZO(B)INDENO(32E)14THIAZEPINE12THIONE
6(4NITROPHENYL)612DIHYDRO5HBENZO(B)INDENO(12E)(14)THIAZEPINE5THIONE
C1=CC=C2C(=C1)C3=C(C2=S)C(SC4=CC=CC=C4N3)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H14N2O2S2c2524(26)1411913(101214)221920(15512616(15)21(19)27)2317734818(17)2822h1122223H
MFCD03176189
S=C1c2ccccc2C2=C1C(Sc1c(N2)cccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000100416268
ZINC000100416272
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