Vitas-M small molecule compound
6-(6-nitro-1,3-benzodioxol-5-yl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
Catalog ID
STK233828
SMILES O=C1c2ccccc2C2=C1C(Sc1c(N2)cccc1)c1cc2OCOc2cc1[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 C23H14N2O5S MW 430.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N2O5S/c26-22-13-6-2-1-5-12(13)21-20(22)23(31-19-8-4-3-7-15(19)24-21)14-9-17-18(30-11-29-17)10-16(14)25(27)28/h1-10,23-24H,11H2InChIKey
ZCHQGVZQXKGEJO-UHFFFAOYSA-NSynonyms
11(6nitro13benzodioxol5yl)511dihydroindeno(21c)(15)benzothiazepin12one
11(6NITRO2HBENZO(D)13DIOXOLAN5YL)5H11HBENZO(B)INDENO(32E)14THIAZEPIN12ONE
6(6nitro13benzodioxol5yl)612dihydro5Hbenzo(b)indeno(12e)(14)thiazepin5one
C1OC2=C(O1)C=C(C(=C2)C3C4=C(C5=CC=CC=C5C4=O)NC6=CC=CC=C6S3)(N+)(=O)(O)
InChI=1SC23H14N2O5Sc262213621512(13)2120(22)23(3119843715(19)2421)1491718(30112917)1016(14)25(27)28h1102324H11H2
MFCD07181756
O=C1c2ccccc2C2=C1C(Sc1c(N2)cccc1)c1cc2OCOc2cc1(N+)(=O)(O)
ZINC000009291133
ZINC000009291136
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