Vitas-M small molecule compound
2-methoxy-3-nitro-4-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Catalog ID
STK521325
SMILES COc1c(O)ccc(c1[N+](=O)[O-])C1Oc2ccccc2C2N1N=C(C2)c1cccs1
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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-28-20-16(25)9-8-13(19(20)24(26)27)21-23-15(12-5-2-3-6-17(12)29-21)11-14(22-23)18-7-4-10-30-18/h2-10,15,21,25H,11H2,1H3InChIKey
UHSZQIAOIGVZGC-UHFFFAOYSA-NSynonyms
2METHOXY3NITRO4((5R10BS)2(THIOPHEN2YL)110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENOL
2methoxy3nitro4(2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)phenol
2METHOXY3NITRO4(2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENOL
3NITRO2METHOXY4(2(2THIENYL)110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZIN5YL)PHENOL
COC1=C(C=CC(=C1(N+)(=O)(O))C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)O
COc1c(O)ccc(c1(N+)(=O)(O))C1Oc2ccccc2C2N1N=C(C2)c1cccs1
InChI=1SC21H17N3O5Sc1282016(25)9813(19(20)24(26)27)212315(12523617(12)2921)1114(2223)1874103018h210152125H11H21H3
MFCD03271292
ZINC000000684621
ZINC000015016222
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