Vitas-M small molecule compound
7-methyl-2-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-(3-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Catalog ID
STK905720
SMILES Cc1ccc(cc1)CSc1nnc(s1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)C
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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 C28H20N4O5S2 MW 556.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O5S2/c1-15-6-9-17(10-7-15)14-38-28-30-29-27(39-28)31-23(18-4-3-5-19(13-18)32(35)36)22-24(33)20-12-16(2)8-11-21(20)37-25(22)26(31)34/h3-13,23H,14H2,1-2H3InChIKey
CAQXGYYPPQNJMD-UHFFFAOYSA-NSynonyms
7methyl2(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)1(3nitrophenyl)12dihydrochromeno(23c)pyrrole39dione
7methyl2(5((4methylphenyl)methylsulfanyl)134thiadiazol2yl)1(3nitrophenyl)1Hchromeno(23c)pyrrole39dione
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C4=C(C3=O)OC5=C(C4=O)C=C(C=C5)C)C6=CC(=CC=C6)(N+)(=O)(O)
Cc1ccc(cc1)CSc1nnc(s1)N1C(=O)c2c(C1c1cccc(c1)(N+)(=O)(O))c(=O)c1c(o2)ccc(c1)C
InChI=1SC28H20N4O5S2c1156917(10715)143828302927(3928)3123(1843519(1318)32(35)36)2224(33)201216(2)81121(20)3725(22)26(31)34h31323H14H212H3
MFCD18076299
ZINC000101349384
ZINC000101349386
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