Vitas-M small molecule compound
4-(4-nitrophenyl)-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromene
Catalog ID
STK736680
SMILES [O-][N+](=O)c1ccc(cc1)C1OC2CCCCC2c2c1ccs2
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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 C17H17NO3S MW 315.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO3S/c19-18(20)12-7-5-11(6-8-12)16-14-9-10-22-17(14)13-3-1-2-4-15(13)21-16/h5-10,13,15-16H,1-4H2InChIKey
UHKDUGWDVMZEAD-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)C1OC2CCCCC2c2c1ccs2
4(4nitrophenyl)5a67899ahexahydro4Hthieno(32c)chromene
C1CCC2C(C1)C3=C(C=CS3)C(O2)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC17H17NO3Sc1918(20)127511(6812)16149102217(14)13312415(13)2116h510131516H14H2
MFCD08142321
ZINC000006668262
ZINC000245226371
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