Vitas-M small molecule compound
10-methoxy-7-(3-nitrobenzyl)-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Catalog ID
STK586743
SMILES COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1cccc(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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-29-15-6-7-17-16(11-15)18-19(20(26)23-8-3-9-30-21(23)22-18)24(17)12-13-4-2-5-14(10-13)25(27)28/h2,4-7,10-11H,3,8-9,12H2,1H3InChIKey
DSFMWIFYTJIJCJ-UHFFFAOYSA-NSynonyms
898795-33-010methoxy7(3nitrobenzyl)34dihydro2H(13)thiazino(3212)pyrimido(54b)indol6(7H)one
898795330
COC1=CC2=C(C=C1)N(C3=C2N=C4N(C3=O)CCCS4)CC5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC21H18N4O4Sc12915671716(1115)1819(20(26)238393021(23)2218)24(17)121342514(1013)25(27)28h2471011H38912H21H3
MFCD07642216
ZINC000008738983
ZINC08738983
ZINC8738983
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